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 138.6
[M+Na]+ 212.05044 148.3
[M-H]- 188.05394 146.0
[M+NH4]+ 207.09504 160.7
[M+K]+ 228.02438 144.0
[M+H-H2O]+ 172.05848 132.9
[M+HCOO]- 234.05942 160.2
[M+CH3COO]- 248.07507 153.0
[M+Na-2H]- 210.03589 140.7
[M]+ 189.06067 139.1
[M]- 189.06177 139.1
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.