CID 3017414

N-(3-thienylmethyl)pyridin-2-amine

Structural Information

Molecular Formula
C10H10N2S
SMILES
C1=CC=NC(=C1)NCC2=CSC=C2
InChI
InChI=1S/C10H10N2S/c1-2-5-11-10(3-1)12-7-9-4-6-13-8-9/h1-6,8H,7H2,(H,11,12)
InChIKey
FFWIYCMLEXESOW-UHFFFAOYSA-N
Compound name
N-(thiophen-3-ylmethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

190.05647 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.063746 137.5
[M+Na]+ 213.045688 145.9
[M-H]- 189.049194 143.4
[M+NH4]+ 208.090293 157.9
[M+K]+ 229.019628 142.2
[M+H-H2O]+ 173.053730 130.5
[M+HCOO]- 235.054671 158.9
[M+CH3COO]- 249.070321 151.2
[M+Na-2H]- 211.031136 142.5
[M]+ 190.05592142 138.3
[M]- 190.05701858 138.3
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