CID 14429534

6-hydroxyquinoline-2-carbonitrile

Structural Information

Molecular Formula
C10H6N2O
SMILES
C1=CC2=C(C=CC(=N2)C#N)C=C1O
InChI
InChI=1S/C10H6N2O/c11-6-8-2-1-7-5-9(13)3-4-10(7)12-8/h1-5,13H
InChIKey
IXFQKRWFXAANSY-UHFFFAOYSA-N
Compound name
6-hydroxyquinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

61
Patents

170.04802 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.055296 135.9
[M+Na]+ 193.037238 147.8
[M-H]- 169.040744 137.6
[M+NH4]+ 188.081843 153.6
[M+K]+ 209.011178 142.4
[M+H-H2O]+ 153.045280 123.2
[M+HCOO]- 215.046221 153.9
[M+CH3COO]- 229.061871 147.9
[M+Na-2H]- 191.022686 144.1
[M]+ 170.04747142 130.6
[M]- 170.04856858 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