CID 54676155

1-butyl-4-hydroxy-2-quinolone

Structural Information

Molecular Formula
C13H15NO2
SMILES
CCCCN1C2=CC=CC=C2C(=CC1=O)O
InChI
InChI=1S/C13H15NO2/c1-2-3-8-14-11-7-5-4-6-10(11)12(15)9-13(14)16/h4-7,9,15H,2-3,8H2,1H3
InChIKey
YHNLJAIQFUBFPF-UHFFFAOYSA-N
Compound name
1-butyl-4-hydroxyquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

66
Patents

217.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.117556 146.7
[M+Na]+ 240.099498 156.5
[M-H]- 216.103004 149.1
[M+NH4]+ 235.144103 165.0
[M+K]+ 256.073438 152.2
[M+H-H2O]+ 200.107540 140.0
[M+HCOO]- 262.108481 167.6
[M+CH3COO]- 276.124131 187.6
[M+Na-2H]- 238.084946 153.5
[M]+ 217.10973142 148.8
[M]- 217.11082858 148.8
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