CID 7016560

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

Structural Information

Molecular Formula

C₅H₄N₂O₄

SMILES

C1=C(NC=C1[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C5H4N2O4/c8-5(9)4-1-3(2-6-4)7(10)11/h1-2,6H,(H,8,9)

InChIKey

SNWGRRCTCGASCN-UHFFFAOYSA-N

Compound name

4-nitro-1H-pyrrole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 156.0171 Da
Monoisotopic Mass: 0.4
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]+	157.02438	127.0
[M+Na]+	179.00632	137.0
[M+NH4]+	174.05092	133.2
[M+K]+	194.98026	138.6
[M-H]-	155.00982	126.6
[M+Na-2H]-	176.99177	130.4
[M]+	156.01655	127.7
[M]-	156.01765	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe