CID 3038161

2-pyridineacetamide, n-methylthio-

Structural Information

Molecular Formula
C8H10N2S
SMILES
CNC(=S)CC1=CC=CC=N1
InChI
InChI=1S/C8H10N2S/c1-9-8(11)6-7-4-2-3-5-10-7/h2-5H,6H2,1H3,(H,9,11)
InChIKey
DXHJWUBAENOHGE-UHFFFAOYSA-N
Compound name
N-methyl-2-pyridin-2-ylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

166.05647 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.063746 133.2
[M+Na]+ 189.045688 140.6
[M-H]- 165.049194 135.6
[M+NH4]+ 184.090293 152.7
[M+K]+ 205.019628 137.5
[M+H-H2O]+ 149.053730 126.6
[M+HCOO]- 211.054671 151.7
[M+CH3COO]- 225.070321 178.9
[M+Na-2H]- 187.031136 137.8
[M]+ 166.05592142 133.2
[M]- 166.05701858 133.2
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