CID 15710

Thiophene, 2,3,4-trimethyl-

Structural Information

Molecular Formula

C₇H₁₀S

SMILES

CC1=CSC(=C1C)C

InChI

InChI=1S/C7H10S/c1-5-4-8-7(3)6(5)2/h4H,1-3H3

InChIKey

MAVVDCDMBKFUES-UHFFFAOYSA-N

Compound name

2,3,4-trimethylthiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 541
Patents: 126.05032 Da
Monoisotopic Mass: 2.7
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]+	127.05760	124.9
[M+Na]+	149.03954	137.4
[M+NH4]+	144.08414	135.5
[M+K]+	165.01348	130.3
[M-H]-	125.04304	127.8
[M+Na-2H]-	147.02499	130.7
[M]+	126.04977	128.1
[M]-	126.05087	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe