CID 71692389

4-cyano-1-methyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

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

InChI

InChI=1S/C7H6N2O2/c1-9-4-5(3-8)2-6(9)7(10)11/h2,4H,1H3,(H,10,11)

InChIKey

LLTHJWLVXXYIQH-UHFFFAOYSA-N

Compound name

4-cyano-1-methylpyrrole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 150.04292 Da
Monoisotopic Mass: 0.2
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]+	151.05020	129.4
[M+Na]+	173.03214	139.8
[M+NH4]+	168.07674	133.1
[M+K]+	189.00608	134.1
[M-H]-	149.03564	121.8
[M+Na-2H]-	171.01759	131.4
[M]+	150.04237	127.6
[M]-	150.04347	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe