CID 54694513

15000-43-8

Structural Information

Molecular Formula
C10H6N2O2
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)C#N)O
InChI
InChI=1S/C10H6N2O2/c11-5-7-9(13)6-3-1-2-4-8(6)12-10(7)14/h1-4H,(H2,12,13,14)
InChIKey
CRRUFISVDCIBAP-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-1H-quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

37
Patents

186.04292 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05020 140.4
[M+Na]+ 209.03214 152.8
[M-H]- 185.03564 141.2
[M+NH4]+ 204.07674 156.9
[M+K]+ 225.00608 146.8
[M+H-H2O]+ 169.04018 128.0
[M+HCOO]- 231.04112 157.3
[M+CH3COO]- 245.05677 151.9
[M+Na-2H]- 207.01759 147.2
[M]+ 186.04237 134.3
[M]- 186.04347 134.3
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