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

10
Patents

133.0739 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.08118 127.6
[M+Na]+ 156.06312 133.9
[M-H]- 132.06662 124.9
[M+NH4]+ 151.10772 147.5
[M+K]+ 172.03706 133.3
[M+H-H2O]+ 116.07116 123.6
[M+HCOO]- 178.07210 147.4
[M+CH3COO]- 192.08775 169.3
[M+Na-2H]- 154.04857 132.6
[M]+ 133.07335 125.3
[M]- 133.07445 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