CID 536690

2-amino-3-hydroxy-2-methylbutanoic acid hydrochloride

Structural Information

Molecular Formula
C5H11NO3
SMILES
CC(C(C)(C(=O)O)N)O
InChI
InChI=1S/C5H11NO3/c1-3(7)5(2,6)4(8)9/h3,7H,6H2,1-2H3,(H,8,9)
InChIKey
NWZTXAMTDLRLFP-UHFFFAOYSA-N
Compound name
2-amino-3-hydroxy-2-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

133.0739 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.081176 127.6
[M+Na]+ 156.063118 133.7
[M-H]- 132.066624 125.0
[M+NH4]+ 151.107723 147.5
[M+K]+ 172.037058 133.6
[M+H-H2O]+ 116.071160 123.7
[M+HCOO]- 178.072101 146.4
[M+CH3COO]- 192.087751 170.3
[M+Na-2H]- 154.048566 131.4
[M]+ 133.07335142 124.6
[M]- 133.07444858 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe