CID 54680430

3-allylquinoline-2,4-diol

Structural Information

Molecular Formula
C12H11NO2
SMILES
C=CCC1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C12H11NO2/c1-2-5-9-11(14)8-6-3-4-7-10(8)13-12(9)15/h2-4,6-7H,1,5H2,(H2,13,14,15)
InChIKey
RBJWVYAOEWLLGM-UHFFFAOYSA-N
Compound name
4-hydroxy-3-prop-2-enyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

201.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 141.3
[M+Na]+ 224.06820 151.4
[M-H]- 200.07170 142.5
[M+NH4]+ 219.11280 159.5
[M+K]+ 240.04214 145.9
[M+H-H2O]+ 184.07624 135.3
[M+HCOO]- 246.07718 161.3
[M+CH3COO]- 260.09283 181.3
[M+Na-2H]- 222.05365 148.2
[M]+ 201.07843 140.6
[M]- 201.07953 140.6
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

No patent data available for this compound.