CID 5365870

Geranylcitronellol

Structural Information

Molecular Formula
C20H36O
SMILES
CC(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCO
InChI
InChI=1S/C20H36O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,20-21H,6-8,10,12,14-16H2,1-5H3/b18-11+,19-13+
InChIKey
ZKWFMIAGZQACFE-NWLVNBMCSA-N
Compound name
(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

29
Patents

292.2766 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.28388 183.4
[M+Na]+ 315.26582 184.8
[M-H]- 291.26932 180.3
[M+NH4]+ 310.31042 198.3
[M+K]+ 331.23976 180.5
[M+H-H2O]+ 275.27386 177.4
[M+HCOO]- 337.27480 198.0
[M+CH3COO]- 351.29045 207.3
[M+Na-2H]- 313.25127 177.5
[M]+ 292.27605 184.6
[M]- 292.27715 184.6
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