CID 118989583

2445785-15-7

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

COC(=O)C1=C(C=CN1)N

InChI

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

InChIKey

XEQCCHQDRJPUNM-UHFFFAOYSA-N

Compound name

methyl 3-amino-1H-pyrrole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 140.05858 Da
Monoisotopic Mass: 0.8
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]+	141.06586	127.6
[M+Na]+	163.04780	136.9
[M+NH4]+	158.09240	134.6
[M+K]+	179.02174	134.9
[M-H]-	139.05130	127.4
[M+Na-2H]-	161.03325	131.7
[M]+	140.05803	128.4
[M]-	140.05913	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe