CID 20692028

Methyl 3-amino-5-methyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CC1=CC(=C(N1)C(=O)OC)N

InChI

InChI=1S/C7H10N2O2/c1-4-3-5(8)6(9-4)7(10)11-2/h3,9H,8H2,1-2H3

InChIKey

RXSCMQUFCPMSOH-UHFFFAOYSA-N

Compound name

methyl 3-amino-5-methyl-1H-pyrrole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.07423 Da
Monoisotopic Mass: 1.2
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]+	155.08151	131.9
[M+Na]+	177.06345	141.3
[M+NH4]+	172.10805	138.6
[M+K]+	193.03739	139.3
[M-H]-	153.06695	131.6
[M+Na-2H]-	175.04890	135.4
[M]+	154.07368	132.7
[M]-	154.07478	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe