CID 28430022

N-(thiophen-3-ylmethyl)pyridin-3-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.05647 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06375 137.5
[M+Na]+ 213.04569 145.9
[M-H]- 189.04919 143.4
[M+NH4]+ 208.09029 157.9
[M+K]+ 229.01963 142.2
[M+H-H2O]+ 173.05373 130.5
[M+HCOO]- 235.05467 158.9
[M+CH3COO]- 249.07032 151.2
[M+Na-2H]- 211.03114 142.5
[M]+ 190.05592 138.3
[M]- 190.05702 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.