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

32
Patents

156.03574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.043016 128.6
[M+Na]+ 179.024958 137.7
[M-H]- 155.028464 131.5
[M+NH4]+ 174.069563 148.5
[M+K]+ 194.998898 134.7
[M+H-H2O]+ 139.033000 122.7
[M+HCOO]- 201.033941 147.6
[M+CH3COO]- 215.049591 174.2
[M+Na-2H]- 177.010406 135.8
[M]+ 156.03519142 128.8
[M]- 156.03628858 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