CID 3038162

2-pyridineacetamide, 4-methoxythio-

Structural Information

Molecular Formula
C8H10N2OS
SMILES
COC1=CC(=NC=C1)CC(=S)N
InChI
InChI=1S/C8H10N2OS/c1-11-7-2-3-10-6(4-7)5-8(9)12/h2-4H,5H2,1H3,(H2,9,12)
InChIKey
ZLCXVOBIFUBEKC-UHFFFAOYSA-N
Compound name
2-(4-methoxypyridin-2-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.05139 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05867 136.7
[M+Na]+ 205.04061 144.8
[M-H]- 181.04411 138.9
[M+NH4]+ 200.08521 155.4
[M+K]+ 221.01455 141.8
[M+H-H2O]+ 165.04865 130.1
[M+HCOO]- 227.04959 154.7
[M+CH3COO]- 241.06524 182.0
[M+Na-2H]- 203.02606 139.6
[M]+ 182.05084 137.6
[M]- 182.05194 137.6
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