PubChemLite - 2,10-di-(gamma,gamma-dimethylallyl)-glycinol (C25H28O5)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=CC2=C(C=C1O)OC[C@@]3([C@H]2OC4=C3C=CC(=C4CC=C(C)C)O)O)C

InChI

InChI=1S/C25H28O5/c1-14(2)5-7-16-11-18-22(12-21(16)27)29-13-25(28)19-9-10-20(26)17(8-6-15(3)4)23(19)30-24(18)25/h5-6,9-12,24,26-28H,7-8,13H2,1-4H3/t24-,25+/m0/s1

InChIKey

ZAAKSBRPXNODLV-LOSJGSFVSA-N

Compound name

(6aS,11aS)-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol

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]+	409.20094	200.1
[M+Na]+	431.18288	211.1
[M+NH4]+	426.22748	207.6
[M+K]+	447.15682	205.4
[M-H]-	407.18638	203.2
[M+Na-2H]-	429.16833	199.5
[M]+	408.19311	202.6
[M]-	408.19421	202.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.20094

200.1

[M+Na]+

431.18288

211.1

[M+NH4]+

426.22748

207.6

[M+K]+

447.15682

205.4

[M-H]-

407.18638

203.2

[M+Na-2H]-

429.16833

199.5

[M]+

408.19311

202.6

[M]-

408.19421

202.6

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

2,10-di-(gamma,gamma-dimethylallyl)-glycinol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe