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]+ 213.06923 144.4
[M+Na]+ 235.05117 151.9
[M-H]- 211.05467 146.3
[M+NH4]+ 230.09577 161.8
[M+K]+ 251.02511 149.1
[M+H-H2O]+ 195.05921 137.4
[M+HCOO]- 257.06015 162.3
[M+CH3COO]- 271.07580 187.1
[M+Na-2H]- 233.03662 146.9
[M]+ 212.06140 147.0
[M]- 212.06250 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.