CID 185684

2-(methylamino)-2-oxoacetic acid

Structural Information

Molecular Formula
C3H5NO3
SMILES
CNC(=O)C(=O)O
InChI
InChI=1S/C3H5NO3/c1-4-2(5)3(6)7/h1H3,(H,4,5)(H,6,7)
InChIKey
FMNLVGDFBCBTJZ-UHFFFAOYSA-N
Compound name
2-(methylamino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

284
Patents

103.02694 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.034216 116.8
[M+Na]+ 126.016158 124.2
[M-H]- 102.019664 116.4
[M+NH4]+ 121.060763 138.9
[M+K]+ 141.990098 124.9
[M+H-H2O]+ 86.024200 112.6
[M+HCOO]- 148.025141 140.2
[M+CH3COO]- 162.040791 164.7
[M+Na-2H]- 124.001606 122.6
[M]+ 103.02639142 115.7
[M]- 103.02748858 115.7
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