CID 90139501

2309446-66-8

Structural Information

Molecular Formula
C6H8N2OS
SMILES
CS(=N)(=O)C1=CN=CC=C1
InChI
InChI=1S/C6H8N2OS/c1-10(7,9)6-3-2-4-8-5-6/h2-5,7H,1H3
InChIKey
YVPALPQTUALGPB-UHFFFAOYSA-N
Compound name
imino-methyl-oxo-pyridin-3-yl-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

156.03574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04302 128.6
[M+Na]+ 179.02496 137.7
[M-H]- 155.02846 131.5
[M+NH4]+ 174.06956 148.5
[M+K]+ 194.99890 134.7
[M+H-H2O]+ 139.03300 122.7
[M+HCOO]- 201.03394 147.6
[M+CH3COO]- 215.04959 174.2
[M+Na-2H]- 177.01041 135.8
[M]+ 156.03519 128.8
[M]- 156.03629 128.8
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