CID 18688993

Neryl glucoside

Structural Information

Molecular Formula
C16H28O6
SMILES
CC(=CCC/C(=C\COC1C(C(C(C(O1)CO)O)O)O)/C)C
InChI
InChI=1S/C16H28O6/c1-10(2)5-4-6-11(3)7-8-21-16-15(20)14(19)13(18)12(9-17)22-16/h5,7,12-20H,4,6,8-9H2,1-3H3/b11-7-
InChIKey
RMMXLHZEVYNSJO-XFFZJAGNSA-N
Compound name
2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

47
Patents

316.1886 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19588 177.5
[M+Na]+ 339.17782 180.6
[M-H]- 315.18132 175.2
[M+NH4]+ 334.22242 188.3
[M+K]+ 355.15176 178.4
[M+H-H2O]+ 299.18586 171.7
[M+HCOO]- 361.18680 187.9
[M+CH3COO]- 375.20245 200.5
[M+Na-2H]- 337.16327 173.2
[M]+ 316.18805 176.3
[M]- 316.18915 176.3
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