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

24
Patents

141.02484 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 123.5
[M+Na]+ 164.01406 133.4
[M-H]- 140.01756 126.7
[M+NH4]+ 159.05866 144.8
[M+K]+ 179.98800 131.7
[M+H-H2O]+ 124.02210 117.7
[M+HCOO]- 186.02304 142.8
[M+CH3COO]- 200.03869 171.9
[M+Na-2H]- 161.99951 129.1
[M]+ 141.02429 126.8
[M]- 141.02539 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