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

123
Patents

139.04558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05286 124.2
[M+Na]+ 162.03480 133.8
[M-H]- 138.03830 127.2
[M+NH4]+ 157.07940 145.7
[M+K]+ 178.00874 131.5
[M+H-H2O]+ 122.04284 118.5
[M+HCOO]- 184.04378 142.9
[M+CH3COO]- 198.05943 173.0
[M+Na-2H]- 160.02025 129.3
[M]+ 139.04503 126.4
[M]- 139.04613 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