CID 6436342

N,n-dibutyloleamide

Structural Information

Molecular Formula
C26H51NO
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N(CCCC)CCCC
InChI
InChI=1S/C26H51NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(24-8-5-2)25-9-6-3/h15-16H,4-14,17-25H2,1-3H3/b16-15-
InChIKey
YMGHPIVBMBXPCR-NXVVXOECSA-N
Compound name
(Z)-N,N-dibutyloctadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

70
Patents

393.39706 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.40434 214.8
[M+Na]+ 416.38628 213.5
[M-H]- 392.38978 212.8
[M+NH4]+ 411.43088 226.7
[M+K]+ 432.36022 209.1
[M+H-H2O]+ 376.39432 206.1
[M+HCOO]- 438.39526 233.1
[M+CH3COO]- 452.41091 235.0
[M+Na-2H]- 414.37173 209.4
[M]+ 393.39651 223.3
[M]- 393.39761 223.3
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