CID 171119164

9-hydroxy linoleoylethanolamide

Structural Information

Molecular Formula
C20H37NO3
SMILES
CCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)NCCO)O
InChI
InChI=1S/C20H37NO3/c1-2-3-4-5-6-8-11-14-19(23)15-12-9-7-10-13-16-20(24)21-17-18-22/h6,8,11,14,19,22-23H,2-5,7,9-10,12-13,15-18H2,1H3,(H,21,24)/b8-6-,14-11+/t19-/m1/s1
InChIKey
VYCHZJQSKAOAAT-UGGXVOJLSA-N
Compound name
(9S,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.27734 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.28462 192.8
[M+Na]+ 362.26656 192.9
[M-H]- 338.27006 187.7
[M+NH4]+ 357.31116 204.6
[M+K]+ 378.24050 187.9
[M+H-H2O]+ 322.27460 185.6
[M+HCOO]- 384.27554 209.3
[M+CH3COO]- 398.29119 212.0
[M+Na-2H]- 360.25201 189.2
[M]+ 339.27679 195.3
[M]- 339.27789 195.3
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

No patent data available for this compound.