CID 53676184

3-hydroxyquinoline-8-carbonitrile

Structural Information

Molecular Formula
C10H6N2O
SMILES
C1=CC2=CC(=CN=C2C(=C1)C#N)O
InChI
InChI=1S/C10H6N2O/c11-5-8-3-1-2-7-4-9(13)6-12-10(7)8/h1-4,6,13H
InChIKey
BDIARZILFJGEDH-UHFFFAOYSA-N
Compound name
3-hydroxyquinoline-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

170.04802 Da
Monoisotopic Mass

1.0
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

No literature data available for this compound.

Patent stripe

patents stripe