CID 3038158

2-pyridineacetamide, 5-methylthio-

Structural Information

Molecular Formula
C8H10N2S
SMILES
CC1=CN=C(C=C1)CC(=S)N
InChI
InChI=1S/C8H10N2S/c1-6-2-3-7(10-5-6)4-8(9)11/h2-3,5H,4H2,1H3,(H2,9,11)
InChIKey
QHFPDQABYJTJIF-UHFFFAOYSA-N
Compound name
2-(5-methylpyridin-2-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

166.05647 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06375 133.2
[M+Na]+ 189.04569 141.4
[M-H]- 165.04919 135.4
[M+NH4]+ 184.09029 152.7
[M+K]+ 205.01963 137.9
[M+H-H2O]+ 149.05373 126.8
[M+HCOO]- 211.05467 150.9
[M+CH3COO]- 225.07032 180.0
[M+Na-2H]- 187.03114 136.0
[M]+ 166.05592 132.6
[M]- 166.05702 132.6
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