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

literature stripe

Patent stripe

patents stripe