CID 3330245

198765-34-3

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

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

InChI

InChI=1S/C6H8N2O2/c1-8-3-4(7)2-5(8)6(9)10/h2-3H,7H2,1H3,(H,9,10)

InChIKey

MUEOQEUSJMFYHV-UHFFFAOYSA-N

Compound name

4-amino-1-methylpyrrole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 801
Patents: 140.05858 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]+	141.065856	126.4
[M+Na]+	163.047798	135.5
[M-H]-	139.051304	127.8
[M+NH4]+	158.092403	147.6
[M+K]+	179.021738	134.0
[M+H-H2O]+	123.055840	120.8
[M+HCOO]-	185.056781	149.9
[M+CH3COO]-	199.072431	172.9
[M+Na-2H]-	161.033246	130.0
[M]+	140.05803142	125.0
[M]-	140.05912858	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe