CID 753803

328072-66-8

Structural Information

Molecular Formula
C10H11N3OS
SMILES
CC1=CC(=NC(=C1C#N)SCC(=O)N)C
InChI
InChI=1S/C10H11N3OS/c1-6-3-7(2)13-10(8(6)4-11)15-5-9(12)14/h3H,5H2,1-2H3,(H2,12,14)
InChIKey
KZKDITWOGBNWAH-UHFFFAOYSA-N
Compound name
2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06229 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06957 151.0
[M+Na]+ 244.05151 161.3
[M-H]- 220.05501 153.4
[M+NH4]+ 239.09611 166.7
[M+K]+ 260.02545 158.3
[M+H-H2O]+ 204.05955 137.9
[M+HCOO]- 266.06049 164.9
[M+CH3COO]- 280.07614 202.8
[M+Na-2H]- 242.03696 151.3
[M]+ 221.06174 147.9
[M]- 221.06284 147.9
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.