CID 122356

N-(4-aminobutyl)acetamide

Structural Information

Molecular Formula
C6H14N2O
SMILES
CC(=O)NCCCCN
InChI
InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
InChIKey
KLZGKIDSEJWEDW-UHFFFAOYSA-N
Compound name
N-(4-aminobutyl)acetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

50
References

963
Patents

130.11061 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.117886 129.6
[M+Na]+ 153.099828 135.2
[M-H]- 129.103334 129.3
[M+NH4]+ 148.144433 150.8
[M+K]+ 169.073768 134.8
[M+H-H2O]+ 113.107870 124.3
[M+HCOO]- 175.108811 154.2
[M+CH3COO]- 189.124461 177.4
[M+Na-2H]- 151.085276 134.7
[M]+ 130.11006142 128.2
[M]- 130.11115858 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe