CID 124253269

1621962-58-0

Structural Information

Molecular Formula
C7H10N2OS
SMILES
CS(=NC1=CN=CC=C1)(=O)C
InChI
InChI=1S/C7H10N2OS/c1-11(2,10)9-7-4-3-5-8-6-7/h3-6H,1-2H3
InChIKey
WIBVPBDFKFWUEG-UHFFFAOYSA-N
Compound name
dimethyl-oxo-pyridin-3-ylimino-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05139 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05867 132.8
[M+Na]+ 193.04061 142.0
[M-H]- 169.04411 137.1
[M+NH4]+ 188.08521 153.1
[M+K]+ 209.01455 139.8
[M+H-H2O]+ 153.04865 126.5
[M+HCOO]- 215.04959 153.1
[M+CH3COO]- 229.06524 179.2
[M+Na-2H]- 191.02606 140.0
[M]+ 170.05084 135.2
[M]- 170.05194 135.2
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.