CID 72125033

4-carbamoyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1=C(NC=C1C(=O)N)C(=O)O
InChI
InChI=1S/C6H6N2O3/c7-5(9)3-1-4(6(10)11)8-2-3/h1-2,8H,(H2,7,9)(H,10,11)
InChIKey
VNYDKAIREOKTED-UHFFFAOYSA-N
Compound name
4-carbamoyl-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.03784 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.04512 129.5
[M+Na]+ 177.02706 137.0
[M-H]- 153.03056 129.2
[M+NH4]+ 172.07166 148.7
[M+K]+ 193.00100 135.1
[M+H-H2O]+ 137.03510 123.6
[M+HCOO]- 199.03604 150.8
[M+CH3COO]- 213.05169 171.4
[M+Na-2H]- 175.01251 132.0
[M]+ 154.03729 125.8
[M]- 154.03839 125.8
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.