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 131.0
[M+Na]+ 192.00896 140.3
[M-H]- 168.01246 132.7
[M+NH4]+ 187.05356 150.2
[M+K]+ 207.98290 137.0
[M+H-H2O]+ 152.01700 125.3
[M+HCOO]- 214.01794 148.0
[M+CH3COO]- 228.03359 172.8
[M+Na-2H]- 189.99441 134.6
[M]+ 169.01919 132.2
[M]- 169.02029 132.2
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