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

13
Patents

192.07211 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07939 146.5
[M+Na]+ 215.06133 157.0
[M-H]- 191.06483 149.4
[M+NH4]+ 210.10593 164.0
[M+K]+ 231.03527 154.2
[M+H-H2O]+ 175.06937 134.0
[M+HCOO]- 237.07031 159.6
[M+CH3COO]- 251.08596 194.9
[M+Na-2H]- 213.04678 150.2
[M]+ 192.07156 143.9
[M]- 192.07266 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