CID 208388

32081-30-4

Structural Information

Molecular Formula
C8H10N2OS
SMILES
CSC(C1=CC=CC=N1)C(=O)N
InChI
InChI=1S/C8H10N2OS/c1-12-7(8(9)11)6-4-2-3-5-10-6/h2-5,7H,1H3,(H2,9,11)
InChIKey
NBYYWZVXXWVLFK-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-2-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05139 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05867 137.3
[M+Na]+ 205.04061 144.2
[M-H]- 181.04411 139.2
[M+NH4]+ 200.08521 155.7
[M+K]+ 221.01455 141.7
[M+H-H2O]+ 165.04865 130.6
[M+HCOO]- 227.04959 154.3
[M+CH3COO]- 241.06524 181.7
[M+Na-2H]- 203.02606 139.8
[M]+ 182.05084 137.2
[M]- 182.05194 137.2
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

No patent data available for this compound.