CID 69221

Methyl glycinate

Structural Information

Molecular Formula
C3H7NO2
SMILES
COC(=O)CN
InChI
InChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3
InChIKey
KQSSATDQUYCRGS-UHFFFAOYSA-N
Compound name
methyl 2-aminoacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

93
References

29700
Patents

89.047676 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.054952 114.6
[M+Na]+ 112.036894 122.4
[M-H]- 88.040400 115.0
[M+NH4]+ 107.081499 137.9
[M+K]+ 128.010834 123.3
[M+H-H2O]+ 72.044936 110.3
[M+HCOO]- 134.045877 139.5
[M+CH3COO]- 148.061527 165.3
[M+Na-2H]- 110.022342 121.2
[M]+ 89.04712742 114.4
[M]- 89.04822458 114.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe