CID 144042064

(2-methoxypyridin-4-yl)methanethiol

Structural Information

Molecular Formula
C7H9NOS
SMILES
COC1=NC=CC(=C1)CS
InChI
InChI=1S/C7H9NOS/c1-9-7-4-6(5-10)2-3-8-7/h2-4,10H,5H2,1H3
InChIKey
JGFJOHPVILGWBC-UHFFFAOYSA-N
Compound name
(2-methoxypyridin-4-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.04048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 129.7
[M+Na]+ 178.02970 143.2
[M+NH4]+ 173.07430 139.2
[M+K]+ 194.00364 134.5
[M-H]- 154.03320 132.1
[M+Na-2H]- 176.01515 136.9
[M]+ 155.03993 132.9
[M]- 155.04103 132.9
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

No patent data available for this compound.