CID 54134

N-benzyldodecanamide

Structural Information

Molecular Formula
C19H31NO
SMILES
CCCCCCCCCCCC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C19H31NO/c1-2-3-4-5-6-7-8-9-13-16-19(21)20-17-18-14-11-10-12-15-18/h10-12,14-15H,2-9,13,16-17H2,1H3,(H,20,21)
InChIKey
AAJQYMJRUXQQCP-UHFFFAOYSA-N
Compound name
N-benzyldodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

289.24057 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.247846 176.7
[M+Na]+ 312.229788 178.9
[M-H]- 288.233294 178.3
[M+NH4]+ 307.274393 191.8
[M+K]+ 328.203728 174.8
[M+H-H2O]+ 272.237830 168.6
[M+HCOO]- 334.238771 198.3
[M+CH3COO]- 348.254421 207.7
[M+Na-2H]- 310.215236 178.4
[M]+ 289.24002142 179.4
[M]- 289.24111858 179.4
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