CID 6437979

Pseudo phytol

Structural Information

Molecular Formula
C20H36O
SMILES
CCC(C)(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C20H36O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h11,13,15,21H,7-10,12,14,16H2,1-6H3/b18-13+,19-15+
InChIKey
SAHYANTVORDRQI-HQSZAHFGSA-N
Compound name
(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

292.2766 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.28388 181.5
[M+Na]+ 315.26582 183.6
[M-H]- 291.26932 178.7
[M+NH4]+ 310.31042 196.8
[M+K]+ 331.23976 179.3
[M+H-H2O]+ 275.27386 176.3
[M+HCOO]- 337.27480 195.7
[M+CH3COO]- 351.29045 206.7
[M+Na-2H]- 313.25127 177.9
[M]+ 292.27605 183.0
[M]- 292.27715 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe