CID 20838733

(9z,12r)-12-hydroxy-9-octadecenamide

Structural Information

Molecular Formula
C18H35NO2
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)N)O
InChI
InChI=1S/C18H35NO2/c1-2-3-4-11-14-17(20)15-12-9-7-5-6-8-10-13-16-18(19)21/h9,12,17,20H,2-8,10-11,13-16H2,1H3,(H2,19,21)/b12-9-/t17-/m1/s1
InChIKey
VSKRSEHLMRRKOS-QJWNTBNXSA-N
Compound name
(Z,12R)-12-hydroxyoctadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2341
Patents

297.26678 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.27406 182.7
[M+Na]+ 320.25600 183.8
[M-H]- 296.25950 178.9
[M+NH4]+ 315.30060 196.7
[M+K]+ 336.22994 179.8
[M+H-H2O]+ 280.26404 175.8
[M+HCOO]- 342.26498 200.3
[M+CH3COO]- 356.28063 208.1
[M+Na-2H]- 318.24145 179.4
[M]+ 297.26623 184.8
[M]- 297.26733 184.8
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