CID 11073495

N,n-dimethyl-1h-pyrrole-2-carboxamide

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CN(C)C(=O)C1=CC=CN1

InChI

InChI=1S/C7H10N2O/c1-9(2)7(10)6-4-3-5-8-6/h3-5,8H,1-2H3

InChIKey

VZRWJMZZHDOBIO-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1H-pyrrole-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 140
Patents: 138.07932 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]+	139.086596	128.6
[M+Na]+	161.068538	135.7
[M-H]-	137.072044	131.2
[M+NH4]+	156.113143	150.3
[M+K]+	177.042478	135.3
[M+H-H2O]+	121.076580	122.3
[M+HCOO]-	183.077521	152.8
[M+CH3COO]-	197.093171	174.9
[M+Na-2H]-	159.053986	133.4
[M]+	138.07877142	127.6
[M]-	138.07986858	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe