CID 373488

Nsc649895

Structural Information

Molecular Formula
C13H11NS
SMILES
C1=CC=NC(=C1)SC23C4C5C2C6C5C4C36
InChI
InChI=1S/C13H11NS/c1-2-4-14-5(3-1)15-13-10-7-6-8(10)12(13)9(6)11(7)13/h1-4,6-12H
InChIKey
FDNWKPVMRWJKOL-UHFFFAOYSA-N
Compound name
2-cuban-1-ylsulfanylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.06122 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.068496 197.8
[M+Na]+ 236.050438 197.9
[M-H]- 212.053944 201.5
[M+NH4]+ 231.095043 192.7
[M+K]+ 252.024378 202.4
[M+H-H2O]+ 196.058480 183.7
[M+HCOO]- 258.059421 198.3
[M+CH3COO]- 272.075071 261.6
[M+Na-2H]- 234.035886 192.9
[M]+ 213.06067142 217.8
[M]- 213.06176858 217.8
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.