CID 28710294

2-(cyclopropylamino)-2-oxoacetic acid

Structural Information

Molecular Formula
C5H7NO3
SMILES
C1CC1NC(=O)C(=O)O
InChI
InChI=1S/C5H7NO3/c7-4(5(8)9)6-3-1-2-3/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKey
OQMQLEHOJCDKHA-UHFFFAOYSA-N
Compound name
2-(cyclopropylamino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

129.04259 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 126.3
[M+Na]+ 152.03181 135.9
[M+NH4]+ 147.07641 133.6
[M+K]+ 168.00575 134.4
[M-H]- 128.03531 132.5
[M+Na-2H]- 150.01726 132.2
[M]+ 129.04204 130.0
[M]- 129.04314 130.0
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