10alpha-methoxy-9,10-dihydrolysergol (C17H22N2O2)

Structural Information

Molecular Formula

SMILES

CN1C[C@@H](C[C@]2([C@H]1CC3=CNC4=CC=CC2=C34)OC)CO

InChI

InChI=1S/C17H22N2O2/c1-19-9-11(10-20)7-17(21-2)13-4-3-5-14-16(13)12(8-18-14)6-15(17)19/h3-5,8,11,15,18,20H,6-7,9-10H2,1-2H3/t11-,15-,17+/m1/s1

InChIKey

JGQZSBLQHCTAJF-JGFGOQIWSA-N

Compound name

[(6aR,9R,10aS)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]methanol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.175396	168.3
[M+Na]+	309.157338	176.8
[M-H]-	285.160844	168.5
[M+NH4]+	304.201943	187.5
[M+K]+	325.131278	170.7
[M+H-H2O]+	269.165380	160.5
[M+HCOO]-	331.166321	180.6
[M+CH3COO]-	345.181971	178.2
[M+Na-2H]-	307.142786	173.0
[M]+	286.16757142	167.6
[M]-	286.16866858	167.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

287.175396

168.3

[M+Na]+

309.157338

176.8

[M-H]-

285.160844

168.5

[M+NH4]+

304.201943

187.5

[M+K]+

325.131278

170.7

[M+H-H2O]+

269.165380

160.5

[M+HCOO]-

331.166321

180.6

[M+CH3COO]-

345.181971

178.2

[M+Na-2H]-

307.142786

173.0

[M]+

286.16757142

167.6

[M]-

286.16866858

167.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

10alpha-methoxy-9,10-dihydrolysergol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe