CID 24701171

6-(2-methoxyethoxy)pyridine-3-carbothioamide

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
COCCOC1=NC=C(C=C1)C(=S)N
InChI
InChI=1S/C9H12N2O2S/c1-12-4-5-13-8-3-2-7(6-11-8)9(10)14/h2-3,6H,4-5H2,1H3,(H2,10,14)
InChIKey
ZMXMTLXJBOFLGZ-UHFFFAOYSA-N
Compound name
6-(2-methoxyethoxy)pyridine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06195 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.069226 144.4
[M+Na]+ 235.051168 151.9
[M-H]- 211.054674 146.3
[M+NH4]+ 230.095773 161.8
[M+K]+ 251.025108 149.1
[M+H-H2O]+ 195.059210 137.4
[M+HCOO]- 257.060151 162.3
[M+CH3COO]- 271.075801 187.1
[M+Na-2H]- 233.036616 146.9
[M]+ 212.06140142 147.0
[M]- 212.06249858 147.0
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.