CID 124252768

Methyl 5-(aminomethyl)-1,2-dimethyl-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

CC1=C(C=C(N1C)CN)C(=O)OC

InChI

InChI=1S/C9H14N2O2/c1-6-8(9(12)13-3)4-7(5-10)11(6)2/h4H,5,10H2,1-3H3

InChIKey

XWWRDWCLWKGQIR-UHFFFAOYSA-N

Compound name

methyl 5-(aminomethyl)-1,2-dimethylpyrrole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.10553 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]+	183.112806	139.3
[M+Na]+	205.094748	148.5
[M-H]-	181.098254	142.0
[M+NH4]+	200.139353	159.9
[M+K]+	221.068688	147.2
[M+H-H2O]+	165.102790	133.3
[M+HCOO]-	227.103731	163.3
[M+CH3COO]-	241.119381	185.1
[M+Na-2H]-	203.080196	141.2
[M]+	182.10498142	141.2
[M]-	182.10607858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.