CID 15405193

3-amino-3-methylbutanamide hydrochloride

Structural Information

Molecular Formula
C5H12N2O
SMILES
CC(C)(CC(=O)N)N
InChI
InChI=1S/C5H12N2O/c1-5(2,7)3-4(6)8/h3,7H2,1-2H3,(H2,6,8)
InChIKey
BQVGZFQLSSJSMW-UHFFFAOYSA-N
Compound name
3-amino-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

116.09496 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.102236 124.9
[M+Na]+ 139.084178 131.3
[M-H]- 115.087684 124.5
[M+NH4]+ 134.128783 146.4
[M+K]+ 155.058118 131.2
[M+H-H2O]+ 99.092220 120.4
[M+HCOO]- 161.093161 147.6
[M+CH3COO]- 175.108811 174.6
[M+Na-2H]- 137.069626 130.0
[M]+ 116.09441142 121.6
[M]- 116.09550858 121.6
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