CID 131769803

( inverted exclamation marka)13-hdha

Structural Information

Molecular Formula
C22H34O
SMILES
CCC/C=C\C/C=C\C/C=C\CC(/C=C/C=C/C/C=C\CC)O
InChI
InChI=1S/C22H34O/c1-3-5-7-9-11-12-13-15-17-19-21-22(23)20-18-16-14-10-8-6-4-2/h6-9,12-14,16-20,22-23H,3-5,10-11,15,21H2,1-2H3/b8-6-,9-7-,13-12-,16-14+,19-17-,20-18+
InChIKey
WLJSEUMCVZZUTN-LZSWNSAASA-N
Compound name
(3Z,6E,8E,12Z,15Z,18Z)-docosa-3,6,8,12,15,18-hexaen-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.26096 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.26824 186.5
[M+Na]+ 337.25018 188.8
[M-H]- 313.25368 183.0
[M+NH4]+ 332.29478 200.8
[M+K]+ 353.22412 180.8
[M+H-H2O]+ 297.25822 180.2
[M+HCOO]- 359.25916 204.2
[M+CH3COO]- 373.27481 206.4
[M+Na-2H]- 335.23563 183.6
[M]+ 314.26041 188.2
[M]- 314.26151 188.2
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

No patent data available for this compound.