CID 10352070

143158-62-7

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

CN1C=C(C=C1C(=O)O)C(=O)N

InChI

InChI=1S/C7H8N2O3/c1-9-3-4(6(8)10)2-5(9)7(11)12/h2-3H,1H3,(H2,8,10)(H,11,12)

InChIKey

MFDNDVAWZIXTQG-UHFFFAOYSA-N

Compound name

4-carbamoyl-1-methylpyrrole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.0535 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.06078	132.9
[M+Na]+	191.04272	141.4
[M-H]-	167.04622	134.2
[M+NH4]+	186.08732	152.6
[M+K]+	207.01666	140.1
[M+H-H2O]+	151.05076	127.0
[M+HCOO]-	213.05170	155.4
[M+CH3COO]-	227.06735	178.1
[M+Na-2H]-	189.02817	134.8
[M]+	168.05295	131.9
[M]-	168.05405	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe