CID 961320

N-benzyl-1-(thiophen-2-yl)methanamine

Structural Information

Molecular Formula
C12H13NS
SMILES
C1=CC=C(C=C1)CNCC2=CC=CS2
InChI
InChI=1S/C12H13NS/c1-2-5-11(6-3-1)9-13-10-12-7-4-8-14-12/h1-8,13H,9-10H2
InChIKey
GEWKIDGKZRKUFB-UHFFFAOYSA-N
Compound name
1-phenyl-N-(thiophen-2-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

31
Patents

203.07687 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08415 143.9
[M+Na]+ 226.06609 156.4
[M+NH4]+ 221.11069 154.4
[M+K]+ 242.04003 147.7
[M-H]- 202.06959 149.6
[M+Na-2H]- 224.05154 153.1
[M]+ 203.07632 147.8
[M]- 203.07742 147.8
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