CID 7060565

N-methyl-n-(2-thien-2-ylbenzyl)amine

Structural Information

Molecular Formula
C12H13NS
SMILES
CNCC1=CC=CC=C1C2=CC=CS2
InChI
InChI=1S/C12H13NS/c1-13-9-10-5-2-3-6-11(10)12-7-4-8-14-12/h2-8,13H,9H2,1H3
InChIKey
MRKJJEJYTBOUTH-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

11
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

literature stripe

Patent stripe

patents stripe