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

34
Patents

170.05139 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.058666 132.8
[M+Na]+ 193.040608 142.0
[M-H]- 169.044114 137.1
[M+NH4]+ 188.085213 153.1
[M+K]+ 209.014548 139.8
[M+H-H2O]+ 153.048650 126.5
[M+HCOO]- 215.049591 153.1
[M+CH3COO]- 229.065241 179.2
[M+Na-2H]- 191.026056 140.0
[M]+ 170.05084142 135.2
[M]- 170.05193858 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

patents stripe