CID 65100657

4-methyl-3-(thiophen-3-yl)aniline hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₁NS

SMILES

CC1=C(C=C(C=C1)N)C2=CSC=C2

InChI

InChI=1S/C11H11NS/c1-8-2-3-10(12)6-11(8)9-4-5-13-7-9/h2-7H,12H2,1H3

InChIKey

MMVXLWTTYLAYCE-UHFFFAOYSA-N

Compound name

4-methyl-3-thiophen-3-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.06122 Da
Monoisotopic Mass: 2.9
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]+	190.068496	138.6
[M+Na]+	212.050438	148.3
[M-H]-	188.053944	146.0
[M+NH4]+	207.095043	160.7
[M+K]+	228.024378	144.0
[M+H-H2O]+	172.058480	132.9
[M+HCOO]-	234.059421	160.2
[M+CH3COO]-	248.075071	153.0
[M+Na-2H]-	210.035886	140.7
[M]+	189.06067142	139.1
[M]-	189.06176858	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.