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 128.0
[M+Na]+ 178.02970 137.5
[M-H]- 154.03320 131.0
[M+NH4]+ 173.07430 148.7
[M+K]+ 194.00364 135.5
[M+H-H2O]+ 138.03774 122.0
[M+HCOO]- 200.03868 146.9
[M+CH3COO]- 214.05433 175.0
[M+Na-2H]- 176.01515 133.1
[M]+ 155.03993 131.7
[M]- 155.04103 131.7
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.