CID 91812

56341-36-7

Structural Information

Molecular Formula

C₇H₈N₂

SMILES

CC1=CC=C(N1C)C#N

InChI

InChI=1S/C7H8N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,1-2H3

InChIKey

DRXOPQFEWDRGKT-UHFFFAOYSA-N

Compound name

1,5-dimethylpyrrole-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 262
Patents: 120.06875 Da
Monoisotopic Mass: 1.1
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]+	121.076026	121.6
[M+Na]+	143.057968	133.3
[M-H]-	119.061474	124.1
[M+NH4]+	138.102573	142.6
[M+K]+	159.031908	131.2
[M+H-H2O]+	103.066010	109.2
[M+HCOO]-	165.066951	142.5
[M+CH3COO]-	179.082601	184.8
[M+Na-2H]-	141.043416	127.1
[M]+	120.06820142	117.6
[M]-	120.06929858	117.6

Literature stripe

literature stripe

Patent stripe

patents stripe