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]+ 162.012036 133.0
[M+Na]+ 183.993978 147.2
[M-H]- 159.997484 135.5
[M+NH4]+ 179.038583 152.8
[M+K]+ 199.967918 142.9
[M+H-H2O]+ 144.002020 120.0
[M+HCOO]- 206.002961 149.1
[M+CH3COO]- 220.018611 146.2
[M+Na-2H]- 181.979426 138.9
[M]+ 161.00421142 131.5
[M]- 161.00530858 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.