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]+ 214.06850 197.8
[M+Na]+ 236.05044 197.9
[M-H]- 212.05394 201.5
[M+NH4]+ 231.09504 192.7
[M+K]+ 252.02438 202.4
[M+H-H2O]+ 196.05848 183.7
[M+HCOO]- 258.05942 198.3
[M+CH3COO]- 272.07507 261.6
[M+Na-2H]- 234.03589 192.9
[M]+ 213.06067 217.8
[M]- 213.06177 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.