CID 89889

N-[3-(dimethylamino)propyl]octanamide

Structural Information

Molecular Formula
C13H28N2O
SMILES
CCCCCCCC(=O)NCCCN(C)C
InChI
InChI=1S/C13H28N2O/c1-4-5-6-7-8-10-13(16)14-11-9-12-15(2)3/h4-12H2,1-3H3,(H,14,16)
InChIKey
RZJGTTOKUNMVCJ-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]octanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

102
Patents

228.22017 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.227446 161.8
[M+Na]+ 251.209388 164.6
[M-H]- 227.212894 162.2
[M+NH4]+ 246.253993 180.0
[M+K]+ 267.183328 164.2
[M+H-H2O]+ 211.217430 154.9
[M+HCOO]- 273.218371 185.2
[M+CH3COO]- 287.234021 202.8
[M+Na-2H]- 249.194836 163.4
[M]+ 228.21962142 165.3
[M]- 228.22071858 165.3
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

patents stripe