CID 11084080

2-[(ethylsulfanyl)methyl]pyridine

Structural Information

Molecular Formula
C8H11NS
SMILES
CCSCC1=CC=CC=N1
InChI
InChI=1S/C8H11NS/c1-2-10-7-8-5-3-4-6-9-8/h3-6H,2,7H2,1H3
InChIKey
DVEPQWYESXJIBN-UHFFFAOYSA-N
Compound name
2-(ethylsulfanylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

153.06122 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 129.1
[M+Na]+ 176.050438 137.4
[M-H]- 152.053944 131.6
[M+NH4]+ 171.095043 149.7
[M+K]+ 192.024378 134.8
[M+H-H2O]+ 136.058480 122.9
[M+HCOO]- 198.059421 147.6
[M+CH3COO]- 212.075071 175.0
[M+Na-2H]- 174.035886 134.4
[M]+ 153.06067142 131.4
[M]- 153.06176858 131.4
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