CID 24892719

Chebi:16091

Structural Information

Molecular Formula
C25H44O
SMILES
CC(CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCO
InChI
InChI=1S/C25H44O/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-26/h11,13,15,17,25-26H,7-10,12,14,16,18-20H2,1-6H3/b22-13+,23-15+,24-17-
InChIKey
KLGBTYNAYAZPFD-QOLULZROSA-N
Compound name
(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

360.3392 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.34648 204.0
[M+Na]+ 383.32842 203.5
[M-H]- 359.33192 200.1
[M+NH4]+ 378.37302 216.1
[M+K]+ 399.30236 197.8
[M+H-H2O]+ 343.33646 197.5
[M+HCOO]- 405.33740 216.2
[M+CH3COO]- 419.35305 221.4
[M+Na-2H]- 381.31387 194.4
[M]+ 360.33865 205.7
[M]- 360.33975 205.7
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