CID 477667

Akos012235370

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CCOC(=O)CSC1=CC(=NC=C1)C#N
InChI
InChI=1S/C10H10N2O2S/c1-2-14-10(13)7-15-9-3-4-12-8(5-9)6-11/h3-5H,2,7H2,1H3
InChIKey
KDYCMKBIZKQREN-UHFFFAOYSA-N
Compound name
ethyl 2-(2-cyanopyridin-4-yl)sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.0463 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 148.8
[M+Na]+ 245.03552 158.7
[M-H]- 221.03902 151.3
[M+NH4]+ 240.08012 164.8
[M+K]+ 261.00946 156.2
[M+H-H2O]+ 205.04356 135.5
[M+HCOO]- 267.04450 162.9
[M+CH3COO]- 281.06015 198.1
[M+Na-2H]- 243.02097 151.3
[M]+ 222.04575 148.0
[M]- 222.04685 148.0
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

No patent data available for this compound.