CID 914053

4-methyl-n-(thiophen-2-ylmethyl)aniline

Structural Information

Molecular Formula
C12H13NS
SMILES
CC1=CC=C(C=C1)NCC2=CC=CS2
InChI
InChI=1S/C12H13NS/c1-10-4-6-11(7-5-10)13-9-12-3-2-8-14-12/h2-8,13H,9H2,1H3
InChIKey
PDNXNLGGICRAGY-UHFFFAOYSA-N
Compound name
4-methyl-N-(thiophen-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

203.07687 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08415 143.9
[M+Na]+ 226.06609 156.8
[M+NH4]+ 221.11069 154.4
[M+K]+ 242.04003 148.3
[M-H]- 202.06959 149.6
[M+Na-2H]- 224.05154 152.8
[M]+ 203.07632 147.9
[M]- 203.07742 147.9
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

No patent data available for this compound.