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

3
Patents

200.18886 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.19614 152.2
[M+Na]+ 223.17808 155.7
[M-H]- 199.18158 151.0
[M+NH4]+ 218.22268 170.6
[M+K]+ 239.15202 154.1
[M+H-H2O]+ 183.18612 145.9
[M+HCOO]- 245.18706 175.2
[M+CH3COO]- 259.20271 192.6
[M+Na-2H]- 221.16353 154.6
[M]+ 200.18831 152.7
[M]- 200.18941 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