CID 12782770

74470-38-5

Structural Information

Molecular Formula
C7H7NO2S
SMILES
COC(=O)C1=CNC=CC1=S
InChI
InChI=1S/C7H7NO2S/c1-10-7(9)5-4-8-3-2-6(5)11/h2-4H,1H3,(H,8,11)
InChIKey
RFJFIEVWCWJUTB-UHFFFAOYSA-N
Compound name
methyl 4-sulfanylidene-1H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.01974 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02702 133.1
[M+Na]+ 192.00896 145.3
[M+NH4]+ 187.05356 141.0
[M+K]+ 207.98290 138.0
[M-H]- 168.01246 133.8
[M+Na-2H]- 189.99441 138.6
[M]+ 169.01919 135.3
[M]- 169.02029 135.3
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