CID 5365371

Erucamide

Structural Information

Molecular Formula
C22H43NO
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N
InChI
InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-
InChIKey
UAUDZVJPLUQNMU-KTKRTIGZSA-N
Compound name
(Z)-docos-13-enamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

27
References

53822
Patents

337.33447 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.34175 196.2
[M+Na]+ 360.32369 196.3
[M-H]- 336.32719 192.9
[M+NH4]+ 355.36829 209.4
[M+K]+ 376.29763 191.2
[M+H-H2O]+ 320.33173 188.4
[M+HCOO]- 382.33267 214.7
[M+CH3COO]- 396.34832 219.9
[M+Na-2H]- 358.30914 192.7
[M]+ 337.33392 201.0
[M]- 337.33502 201.0
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