CID 252489

1-cyano-1,2-dihydro-2-hydroxyquinoline

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C2C(=C1)C=CC(N2C#N)O
InChI
InChI=1S/C10H8N2O/c11-7-12-9-4-2-1-3-8(9)5-6-10(12)13/h1-6,10,13H
InChIKey
GXIXLQJBGXQENY-UHFFFAOYSA-N
Compound name
2-hydroxy-2H-quinoline-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

172.06366 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 136.1
[M+Na]+ 195.05288 147.1
[M-H]- 171.05638 137.5
[M+NH4]+ 190.09748 153.7
[M+K]+ 211.02682 141.9
[M+H-H2O]+ 155.06092 123.5
[M+HCOO]- 217.06186 152.9
[M+CH3COO]- 231.07751 147.7
[M+Na-2H]- 193.03833 143.5
[M]+ 172.06311 129.5
[M]- 172.06421 129.5
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