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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06850 139.4
[M+Na]+ 212.05044 152.6
[M+NH4]+ 207.09504 150.0
[M+K]+ 228.02438 144.8
[M-H]- 188.05394 145.1
[M+Na-2H]- 210.03589 148.0
[M]+ 189.06067 143.5
[M]- 189.06177 143.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.