CID 173215

N-(3-aminopropyl)octanamide

Structural Information

Molecular Formula
C11H24N2O
SMILES
CCCCCCCC(=O)NCCCN
InChI
InChI=1S/C11H24N2O/c1-2-3-4-5-6-8-11(14)13-10-7-9-12/h2-10,12H2,1H3,(H,13,14)
InChIKey
AZGZCTUTODQNFW-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

200.18886 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.196136 152.2
[M+Na]+ 223.178078 155.7
[M-H]- 199.181584 151.0
[M+NH4]+ 218.222683 170.6
[M+K]+ 239.152018 154.1
[M+H-H2O]+ 183.186120 145.9
[M+HCOO]- 245.187061 175.2
[M+CH3COO]- 259.202711 192.6
[M+Na-2H]- 221.163526 154.6
[M]+ 200.18831142 152.7
[M]- 200.18940858 152.7
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