CID 10891603

Arachidonyl alcohol

Structural Information

Molecular Formula
C20H34O
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO
InChI
InChI=1S/C20H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h6-7,9-10,12-13,15-16,21H,2-5,8,11,14,17-20H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey
NYBCZSBDKXGAGM-DOFZRALJSA-N
Compound name
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1871
Patents

290.26096 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 180.0
[M+Na]+ 313.25018 182.5
[M-H]- 289.25368 176.5
[M+NH4]+ 308.29478 195.2
[M+K]+ 329.22412 175.8
[M+H-H2O]+ 273.25822 173.6
[M+HCOO]- 335.25916 198.8
[M+CH3COO]- 349.27481 202.7
[M+Na-2H]- 311.23563 179.3
[M]+ 290.26041 183.1
[M]- 290.26151 183.1
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