CID 28710294

(cyclopropylcarbamoyl)formic 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

39
Patents

129.04259 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 123.4
[M+Na]+ 152.031808 132.0
[M-H]- 128.035314 127.1
[M+NH4]+ 147.076413 139.6
[M+K]+ 168.005748 130.2
[M+H-H2O]+ 112.039850 118.1
[M+HCOO]- 174.040791 146.6
[M+CH3COO]- 188.056441 173.1
[M+Na-2H]- 150.017256 129.0
[M]+ 129.04204142 124.6
[M]- 129.04313858 124.6
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