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-methoxy-4-pyridinyl)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]+ 156.047756 128.0
[M+Na]+ 178.029698 137.5
[M-H]- 154.033204 131.0
[M+NH4]+ 173.074303 148.7
[M+K]+ 194.003638 135.5
[M+H-H2O]+ 138.037740 122.0
[M+HCOO]- 200.038681 146.9
[M+CH3COO]- 214.054331 175.0
[M+Na-2H]- 176.015146 133.1
[M]+ 155.03993142 131.7
[M]- 155.04102858 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.