CID 130045532

Methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate hydrochloride

Structural Information

Molecular Formula
C5H11NO4
SMILES
COC(=O)C(CO)(CO)N
InChI
InChI=1S/C5H11NO4/c1-10-4(9)5(6,2-7)3-8/h7-8H,2-3,6H2,1H3
InChIKey
AIIRPYLDRNUKEW-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-hydroxy-2-(hydroxymethyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.0688 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.07608 130.3
[M+Na]+ 172.05802 136.6
[M-H]- 148.06152 127.5
[M+NH4]+ 167.10262 149.5
[M+K]+ 188.03196 136.5
[M+H-H2O]+ 132.06606 126.0
[M+HCOO]- 194.06700 150.3
[M+CH3COO]- 208.08265 170.8
[M+Na-2H]- 170.04347 135.4
[M]+ 149.06825 129.3
[M]- 149.06935 129.3
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

No patent data available for this compound.