PubChemLite - (-)-trans-carveol glucoside (C16H26O6)

Structural Information

Molecular Formula

SMILES

CC1=CC[C@H](C[C@@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=C)C

InChI

InChI=1S/C16H26O6/c1-8(2)10-5-4-9(3)11(6-10)21-16-15(20)14(19)13(18)12(7-17)22-16/h4,10-20H,1,5-7H2,2-3H3/t10-,11+,12-,13-,14+,15-,16-/m1/s1

InChIKey

IPOIBBMZOXJYFV-RMPHEQRESA-N

Compound name

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]oxyoxane-3,4,5-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]+	315.18022	174.4
[M+Na]+	337.16216	178.4
[M-H]-	313.16566	175.9
[M+NH4]+	332.20676	185.3
[M+K]+	353.13610	176.4
[M+H-H2O]+	297.17020	168.3
[M+HCOO]-	359.17114	184.1
[M+CH3COO]-	373.18679	201.3
[M+Na-2H]-	335.14761	170.7
[M]+	314.17239	170.3
[M]-	314.17349	170.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

315.18022

174.4

[M+Na]+

337.16216

178.4

[M-H]-

313.16566

175.9

[M+NH4]+

332.20676

185.3

[M+K]+

353.13610

176.4

[M+H-H2O]+

297.17020

168.3

[M+HCOO]-

359.17114

184.1

[M+CH3COO]-

373.18679

201.3

[M+Na-2H]-

335.14761

170.7

[M]+

314.17239

170.3

[M]-

314.17349

170.3

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

(-)-trans-carveol glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe