CID 145874761

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

Structural Information

Molecular Formula
C7H3N3S
SMILES
C1=CC2=C(C(=NS2)C#N)N=C1
InChI
InChI=1S/C7H3N3S/c8-4-5-7-6(11-10-5)2-1-3-9-7/h1-3H
InChIKey
MTOMDDDVJGOPBY-UHFFFAOYSA-N
Compound name
[1,2]thiazolo[4,5-b]pyridine-3-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 133.0
[M+Na]+ 183.99398 147.2
[M-H]- 159.99748 135.5
[M+NH4]+ 179.03858 152.8
[M+K]+ 199.96792 142.9
[M+H-H2O]+ 144.00202 120.0
[M+HCOO]- 206.00296 149.1
[M+CH3COO]- 220.01861 146.2
[M+Na-2H]- 181.97943 138.9
[M]+ 161.00421 131.5
[M]- 161.00531 131.5
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.