CID 23092602

6-methoxypyridine-3-thiol

Structural Information

Molecular Formula
C6H7NOS
SMILES
COC1=NC=C(C=C1)S
InChI
InChI=1S/C6H7NOS/c1-8-6-3-2-5(9)4-7-6/h2-4,9H,1H3
InChIKey
XBWDJUAWQBEQNK-UHFFFAOYSA-N
Compound name
6-methoxypyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

141.02484 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.032116 123.5
[M+Na]+ 164.014058 133.4
[M-H]- 140.017564 126.7
[M+NH4]+ 159.058663 144.8
[M+K]+ 179.987998 131.7
[M+H-H2O]+ 124.022100 117.7
[M+HCOO]- 186.023041 142.8
[M+CH3COO]- 200.038691 171.9
[M+Na-2H]- 161.999506 129.1
[M]+ 141.02429142 126.8
[M]- 141.02538858 126.8
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