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

151
Patents

116.09496 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.10224 124.9
[M+Na]+ 139.08418 131.3
[M-H]- 115.08768 124.5
[M+NH4]+ 134.12878 146.4
[M+K]+ 155.05812 131.2
[M+H-H2O]+ 99.092220 120.4
[M+HCOO]- 161.09316 147.6
[M+CH3COO]- 175.10881 174.6
[M+Na-2H]- 137.06963 130.0
[M]+ 116.09441 121.6
[M]- 116.09551 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