CID 55290908

Ethyl 3-amino-2-hydroxy-2-methylpropanoate hydrochloride

Structural Information

Molecular Formula
C6H13NO3
SMILES
CCOC(=O)C(C)(CN)O
InChI
InChI=1S/C6H13NO3/c1-3-10-5(8)6(2,9)4-7/h9H,3-4,7H2,1-2H3
InChIKey
UXCYYPNKUKBHAE-UHFFFAOYSA-N
Compound name
ethyl 3-amino-2-hydroxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

147.08954 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09682 131.7
[M+Na]+ 170.07876 138.1
[M-H]- 146.08226 130.3
[M+NH4]+ 165.12336 151.9
[M+K]+ 186.05270 138.2
[M+H-H2O]+ 130.08680 127.4
[M+HCOO]- 192.08774 152.7
[M+CH3COO]- 206.10339 174.2
[M+Na-2H]- 168.06421 136.8
[M]+ 147.08899 131.6
[M]- 147.09009 131.6
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