CID 75835

2637-35-6

Structural Information

Molecular Formula
C6H4N2S
SMILES
C1=CC=NC(=C1)SC#N
InChI
InChI=1S/C6H4N2S/c7-5-9-6-3-1-2-4-8-6/h1-4H
InChIKey
YHEHNPOOVXZEHL-UHFFFAOYSA-N
Compound name
pyridin-2-yl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

136.00952 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.01680 126.4
[M+Na]+ 158.99874 137.4
[M-H]- 135.00224 129.2
[M+NH4]+ 154.04334 145.4
[M+K]+ 174.97268 134.9
[M+H-H2O]+ 119.00678 113.9
[M+HCOO]- 181.00772 142.0
[M+CH3COO]- 195.02337 183.5
[M+Na-2H]- 156.98419 132.3
[M]+ 136.00897 122.7
[M]- 136.01007 122.7
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