CID 147139

107932-97-8

Structural Information

Molecular Formula
C8H6N4
SMILES
C1=CC2=C(N=C1)N=C(N2)CC#N
InChI
InChI=1S/C8H6N4/c9-4-3-7-11-6-2-1-5-10-8(6)12-7/h1-2,5H,3H2,(H,10,11,12)
InChIKey
NFQTXNZDURSTFY-UHFFFAOYSA-N
Compound name
2-(1H-imidazo[4,5-b]pyridin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

131
Patents

158.05925 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06653 130.6
[M+Na]+ 181.04847 142.6
[M-H]- 157.05197 129.1
[M+NH4]+ 176.09307 147.3
[M+K]+ 197.02241 137.5
[M+H-H2O]+ 141.05651 115.8
[M+HCOO]- 203.05745 148.2
[M+CH3COO]- 217.07310 142.2
[M+Na-2H]- 179.03392 138.7
[M]+ 158.05870 125.6
[M]- 158.05980 125.6
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