CID 71519088

[1,3]thiazolo[4,5-c]pyridine-2-carbonitrile

Structural Information

Molecular Formula
C7H3N3S
SMILES
C1=CN=CC2=C1SC(=N2)C#N
InChI
InChI=1S/C7H3N3S/c8-3-7-10-5-4-9-2-1-6(5)11-7/h1-2,4H
InChIKey
YQKJDWUBDFFEMI-UHFFFAOYSA-N
Compound name
[1,3]thiazolo[4,5-c]pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.00476 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01204 128.5
[M+Na]+ 183.99398 142.2
[M+NH4]+ 179.03858 134.7
[M+K]+ 199.96792 132.2
[M-H]- 159.99748 123.4
[M+Na-2H]- 181.97943 133.4
[M]+ 161.00421 128.7
[M]- 161.00531 128.7
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

No patent data available for this compound.