CID 28413190

6-(tert-butylsulfanyl)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C10H12N2S
SMILES
CC(C)(C)SC1=NC=C(C=C1)C#N
InChI
InChI=1S/C10H12N2S/c1-10(2,3)13-9-5-4-8(6-11)7-12-9/h4-5,7H,1-3H3
InChIKey
DRFBXSPWXKIADQ-UHFFFAOYSA-N
Compound name
6-tert-butylsulfanylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

192.07211 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.079386 146.5
[M+Na]+ 215.061328 157.0
[M-H]- 191.064834 149.4
[M+NH4]+ 210.105933 164.0
[M+K]+ 231.035268 154.2
[M+H-H2O]+ 175.069370 134.0
[M+HCOO]- 237.070311 159.6
[M+CH3COO]- 251.085961 194.9
[M+Na-2H]- 213.046776 150.2
[M]+ 192.07156142 143.9
[M]- 192.07265858 143.9
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

patents stripe