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

45
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 123.4
[M+Na]+ 152.03181 132.0
[M-H]- 128.03531 127.1
[M+NH4]+ 147.07641 139.6
[M+K]+ 168.00575 130.2
[M+H-H2O]+ 112.03985 118.1
[M+HCOO]- 174.04079 146.6
[M+CH3COO]- 188.05644 173.1
[M+Na-2H]- 150.01726 129.0
[M]+ 129.04204 124.6
[M]- 129.04314 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