CID 51392

N-[3-(dimethylamino)propyl]dodecanamide

Structural Information

Molecular Formula
C17H36N2O
SMILES
CCCCCCCCCCCC(=O)NCCCN(C)C
InChI
InChI=1S/C17H36N2O/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2)3/h4-16H2,1-3H3,(H,18,20)
InChIKey
TWMFGCHRALXDAR-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1657
Patents

284.28278 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.29006 179.8
[M+Na]+ 307.27200 181.0
[M-H]- 283.27550 179.5
[M+NH4]+ 302.31660 195.8
[M+K]+ 323.24594 179.6
[M+H-H2O]+ 267.28004 172.2
[M+HCOO]- 329.28098 201.9
[M+CH3COO]- 343.29663 214.8
[M+Na-2H]- 305.25745 179.4
[M]+ 284.28223 184.9
[M]- 284.28333 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.