CID 123865420

2-methoxypyridine-3-thiol

Structural Information

Molecular Formula
C6H7NOS
SMILES
COC1=C(C=CC=N1)S
InChI
InChI=1S/C6H7NOS/c1-8-6-5(9)3-2-4-7-6/h2-4,9H,1H3
InChIKey
MQADDAREXBUWQR-UHFFFAOYSA-N
Compound name
2-methoxypyridine-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

141.02484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.03212 125.3
[M+Na]+ 164.01406 139.0
[M+NH4]+ 159.05866 135.0
[M+K]+ 179.98800 130.5
[M-H]- 140.01756 127.8
[M+Na-2H]- 161.99951 132.7
[M]+ 141.02429 128.5
[M]- 141.02539 128.5
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