CID 53394482

N-ethyl-9-octadecenamide

Structural Information

Molecular Formula
C20H39NO
SMILES
CCCCCCCCC=CCCCCCCCC(=O)NCC
InChI
InChI=1S/C20H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-4-2/h11-12H,3-10,13-19H2,1-2H3,(H,21,22)
InChIKey
JZJYYCFYGXPUMF-UHFFFAOYSA-N
Compound name
N-ethyloctadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

129
Patents

309.30316 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.310436 187.4
[M+Na]+ 332.292378 188.4
[M-H]- 308.295884 185.2
[M+NH4]+ 327.336983 202.1
[M+K]+ 348.266318 184.2
[M+H-H2O]+ 292.300420 180.0
[M+HCOO]- 354.301361 207.3
[M+CH3COO]- 368.317011 213.9
[M+Na-2H]- 330.277826 186.0
[M]+ 309.30261142 192.4
[M]- 309.30370858 192.4
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