CID 18525831

Methyl({[4-(thiophen-3-yl)phenyl]methyl})amine hydrochloride

Structural Information

Molecular Formula
C12H13NS
SMILES
CNCC1=CC=C(C=C1)C2=CSC=C2
InChI
InChI=1S/C12H13NS/c1-13-8-10-2-4-11(5-3-10)12-6-7-14-9-12/h2-7,9,13H,8H2,1H3
InChIKey
VBNZKCIOXSBOJS-UHFFFAOYSA-N
Compound name
N-methyl-1-(4-thiophen-3-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.07687 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.084146 142.9
[M+Na]+ 226.066088 151.2
[M-H]- 202.069594 150.2
[M+NH4]+ 221.110693 164.3
[M+K]+ 242.040028 147.1
[M+H-H2O]+ 186.074130 136.6
[M+HCOO]- 248.075071 164.8
[M+CH3COO]- 262.090721 156.7
[M+Na-2H]- 224.051536 146.1
[M]+ 203.07632142 144.2
[M]- 203.07741858 144.2
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.