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]+ 204.08415 142.9
[M+Na]+ 226.06609 151.2
[M-H]- 202.06959 150.2
[M+NH4]+ 221.11069 164.3
[M+K]+ 242.04003 147.1
[M+H-H2O]+ 186.07413 136.6
[M+HCOO]- 248.07507 164.8
[M+CH3COO]- 262.09072 156.7
[M+Na-2H]- 224.05154 146.1
[M]+ 203.07632 144.2
[M]- 203.07742 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.