CID 12419040

4-amino-3-hydroxy-3-methylbutanoic acid hydrochloride

Structural Information

Molecular Formula
C5H11NO3
SMILES
CC(CC(=O)O)(CN)O
InChI
InChI=1S/C5H11NO3/c1-5(9,3-6)2-4(7)8/h9H,2-3,6H2,1H3,(H,7,8)
InChIKey
HPWNGDFGOGOKCN-UHFFFAOYSA-N
Compound name
4-amino-3-hydroxy-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

133.0739 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.081176 127.6
[M+Na]+ 156.063118 133.9
[M-H]- 132.066624 124.9
[M+NH4]+ 151.107723 147.5
[M+K]+ 172.037058 133.3
[M+H-H2O]+ 116.071160 123.6
[M+HCOO]- 178.072101 147.4
[M+CH3COO]- 192.087751 169.3
[M+Na-2H]- 154.048566 132.6
[M]+ 133.07335142 125.3
[M]- 133.07444858 125.3
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