CID 170151

Terpineol-o-glucopyranoside

Structural Information

Molecular Formula
C16H28O6
SMILES
CC1=CCC(CC1)C(C)(C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C16H28O6/c1-9-4-6-10(7-5-9)16(2,3)22-15-14(20)13(19)12(18)11(8-17)21-15/h4,10-15,17-20H,5-8H2,1-3H3/t10?,11-,12-,13+,14-,15+/m1/s1
InChIKey
NZNWCYFBFHHMLM-YQYZCKNZSA-N
Compound name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

316.1886 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.195876 175.0
[M+Na]+ 339.177818 178.3
[M-H]- 315.181324 176.2
[M+NH4]+ 334.222423 185.7
[M+K]+ 355.151758 177.0
[M+H-H2O]+ 299.185860 169.1
[M+HCOO]- 361.186801 184.0
[M+CH3COO]- 375.202451 200.1
[M+Na-2H]- 337.163266 174.3
[M]+ 316.18805142 171.4
[M]- 316.18914858 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe