CID 17797067

4-amino-n-methylbutanamide hydrochloride

Structural Information

Molecular Formula
C5H12N2O
SMILES
CNC(=O)CCCN
InChI
InChI=1S/C5H12N2O/c1-7-5(8)3-2-4-6/h2-4,6H2,1H3,(H,7,8)
InChIKey
IJUCBGPQWGGYBV-UHFFFAOYSA-N
Compound name
4-amino-N-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

116.09496 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.10224 125.1
[M+Na]+ 139.08418 131.1
[M-H]- 115.08768 125.0
[M+NH4]+ 134.12878 146.8
[M+K]+ 155.05812 131.0
[M+H-H2O]+ 99.092220 119.9
[M+HCOO]- 161.09316 150.0
[M+CH3COO]- 175.10881 174.3
[M+Na-2H]- 137.06963 130.6
[M]+ 116.09441 123.2
[M]- 116.09551 123.2
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