CID 131750856

Neryl rhamnosyl-glucoside

Structural Information

Molecular Formula
C22H38O10
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC/C=C(/C)\CCC=C(C)C)O)O)O)O)O)O
InChI
InChI=1S/C22H38O10/c1-11(2)6-5-7-12(3)8-9-29-21-20(28)18(26)16(24)14(32-21)10-30-22-19(27)17(25)15(23)13(4)31-22/h6,8,13-28H,5,7,9-10H2,1-4H3/b12-8-
InChIKey
YZJBMONDZNACEV-WQLSENKSSA-N
Compound name
2-[[6-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

462.2465 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.25378 212.3
[M+Na]+ 485.23572 212.7
[M-H]- 461.23922 210.8
[M+NH4]+ 480.28032 214.3
[M+K]+ 501.20966 212.5
[M+H-H2O]+ 445.24376 205.3
[M+HCOO]- 507.24470 214.3
[M+CH3COO]- 521.26035 228.5
[M+Na-2H]- 483.22117 203.4
[M]+ 462.24595 211.4
[M]- 462.24705 211.4
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