CID 12634435

76456-06-9

Structural Information

Molecular Formula
C6H8N2OS
SMILES
CS(=N)(=O)C1=CC=CC=N1
InChI
InChI=1S/C6H8N2OS/c1-10(7,9)6-4-2-3-5-8-6/h2-5,7H,1H3
InChIKey
MDNTYTKCIIHFIN-UHFFFAOYSA-N
Compound name
imino-methyl-oxo-pyridin-2-yl-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

156.03574 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe