CID 572717

2,3,4-trimethyl-1h-pyrrole

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

CC1=CNC(=C1C)C

InChI

InChI=1S/C7H11N/c1-5-4-8-7(3)6(5)2/h4,8H,1-3H3

InChIKey

WTMJHBZSSSDBFQ-UHFFFAOYSA-N

Compound name

2,3,4-trimethyl-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 501
Patents: 109.08915 Da
Monoisotopic Mass: 1.8
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]+	110.096426	120.7
[M+Na]+	132.078368	130.5
[M-H]-	108.081874	122.4
[M+NH4]+	127.122973	144.1
[M+K]+	148.052308	128.4
[M+H-H2O]+	92.086410	115.8
[M+HCOO]-	154.087351	143.9
[M+CH3COO]-	168.103001	167.7
[M+Na-2H]-	130.063816	125.9
[M]+	109.08860142	120.0
[M]-	109.08969858	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe