CID 10600

517-22-6

Structural Information

Molecular Formula

C₈H₁₃N

SMILES

CCC1=C(NC=C1C)C

InChI

InChI=1S/C8H13N/c1-4-8-6(2)5-9-7(8)3/h5,9H,4H2,1-3H3

InChIKey

ZEBBLOXDLGIMEG-UHFFFAOYSA-N

Compound name

3-ethyl-2,4-dimethyl-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 1063
Patents: 123.1048 Da
Monoisotopic Mass: 2.3
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]+	124.11208	126.0
[M+Na]+	146.09402	138.1
[M+NH4]+	141.13862	134.9
[M+K]+	162.06796	133.5
[M-H]-	122.09752	127.3
[M+Na-2H]-	144.07947	131.6
[M]+	123.10425	128.0
[M]-	123.10535	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe