CID 63563938

[(1h-imidazol-2-yl)carbamoyl]formic acid hydrochloride

Structural Information

Molecular Formula
C5H5N3O3
SMILES
C1=CN=C(N1)NC(=O)C(=O)O
InChI
InChI=1S/C5H5N3O3/c9-3(4(10)11)8-5-6-1-2-7-5/h1-2H,(H,10,11)(H2,6,7,8,9)
InChIKey
DQKBZABGRQKXHC-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-2-ylamino)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.0331 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04038 129.3
[M+Na]+ 178.02232 136.5
[M-H]- 154.02582 128.0
[M+NH4]+ 173.06692 147.3
[M+K]+ 193.99626 135.1
[M+H-H2O]+ 138.03036 122.4
[M+HCOO]- 200.03130 150.4
[M+CH3COO]- 214.04695 169.3
[M+Na-2H]- 176.00777 134.1
[M]+ 155.03255 126.3
[M]- 155.03365 126.3
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

No patent data available for this compound.