CID 2734032

8-hydroxy-2-quinolinecarbonitrile

Structural Information

Molecular Formula
C10H6N2O
SMILES
C1=CC2=C(C(=C1)O)N=C(C=C2)C#N
InChI
InChI=1S/C10H6N2O/c11-6-8-5-4-7-2-1-3-9(13)10(7)12-8/h1-5,13H
InChIKey
KUQKKIBQVSFDHX-UHFFFAOYSA-N
Compound name
8-hydroxyquinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

203
Patents

170.04802 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05530 135.9
[M+Na]+ 193.03724 147.8
[M-H]- 169.04074 137.6
[M+NH4]+ 188.08184 153.6
[M+K]+ 209.01118 142.4
[M+H-H2O]+ 153.04528 123.2
[M+HCOO]- 215.04622 153.9
[M+CH3COO]- 229.06187 147.9
[M+Na-2H]- 191.02269 144.1
[M]+ 170.04747 130.6
[M]- 170.04857 130.6
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