CID 18652473

Methyl 3-amino-2-methoxypropanoate hydrochloride

Structural Information

Molecular Formula
C5H11NO3
SMILES
CO[C@@H](CN)C(=O)OC
InChI
InChI=1S/C5H11NO3/c1-8-4(3-6)5(7)9-2/h4H,3,6H2,1-2H3/t4-/m0/s1
InChIKey
WSLCYSBHFJXVBA-BYPYZUCNSA-N
Compound name
methyl (2S)-3-amino-2-methoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

133.0739 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.081176 127.1
[M+Na]+ 156.063118 133.8
[M-H]- 132.066624 127.2
[M+NH4]+ 151.107723 148.5
[M+K]+ 172.037058 135.1
[M+H-H2O]+ 116.071160 122.2
[M+HCOO]- 178.072101 150.6
[M+CH3COO]- 192.087751 174.4
[M+Na-2H]- 154.048566 131.3
[M]+ 133.07335142 128.4
[M]- 133.07444858 128.4
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