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]+ 150.076076 130.3
[M+Na]+ 172.058018 136.6
[M-H]- 148.061524 127.5
[M+NH4]+ 167.102623 149.5
[M+K]+ 188.031958 136.5
[M+H-H2O]+ 132.066060 126.0
[M+HCOO]- 194.067001 150.3
[M+CH3COO]- 208.082651 170.8
[M+Na-2H]- 170.043466 135.4
[M]+ 149.06825142 129.3
[M]- 149.06934858 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.