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]+ 170.027016 131.0
[M+Na]+ 192.008958 140.3
[M-H]- 168.012464 132.7
[M+NH4]+ 187.053563 150.2
[M+K]+ 207.982898 137.0
[M+H-H2O]+ 152.017000 125.3
[M+HCOO]- 214.017941 148.0
[M+CH3COO]- 228.033591 172.8
[M+Na-2H]- 189.994406 134.6
[M]+ 169.01919142 132.2
[M]- 169.02028858 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