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

17
Patents

147.08954 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.096816 131.7
[M+Na]+ 170.078758 138.1
[M-H]- 146.082264 130.3
[M+NH4]+ 165.123363 151.9
[M+K]+ 186.052698 138.2
[M+H-H2O]+ 130.086800 127.4
[M+HCOO]- 192.087741 152.7
[M+CH3COO]- 206.103391 174.2
[M+Na-2H]- 168.064206 136.8
[M]+ 147.08899142 131.6
[M]- 147.09008858 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