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
1
Annotation Hits

0
References

128
Patents

228.22017 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.22745 161.8
[M+Na]+ 251.20939 164.6
[M-H]- 227.21289 162.2
[M+NH4]+ 246.25399 180.0
[M+K]+ 267.18333 164.2
[M+H-H2O]+ 211.21743 154.9
[M+HCOO]- 273.21837 185.2
[M+CH3COO]- 287.23402 202.8
[M+Na-2H]- 249.19484 163.4
[M]+ 228.21962 165.3
[M]- 228.22072 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