CID 311760

3-methyl-2-(methylsulfanyl)pyridine

Structural Information

Molecular Formula
C7H9NS
SMILES
CC1=C(N=CC=C1)SC
InChI
InChI=1S/C7H9NS/c1-6-4-3-5-8-7(6)9-2/h3-5H,1-2H3
InChIKey
PRGKIYGFVLGXPA-UHFFFAOYSA-N
Compound name
3-methyl-2-methylsulfanylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

139.04558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.052856 124.2
[M+Na]+ 162.034798 133.8
[M-H]- 138.038304 127.2
[M+NH4]+ 157.079403 145.7
[M+K]+ 178.008738 131.5
[M+H-H2O]+ 122.042840 118.5
[M+HCOO]- 184.043781 142.9
[M+CH3COO]- 198.059431 173.0
[M+Na-2H]- 160.020246 129.3
[M]+ 139.04503142 126.4
[M]- 139.04612858 126.4
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