CID 54682512

26138-64-7

Structural Information

Molecular Formula
C11H9NO3
SMILES
CC(=O)C1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C11H9NO3/c1-6(13)9-10(14)7-4-2-3-5-8(7)12-11(9)15/h2-5H,1H3,(H2,12,14,15)
InChIKey
UTOJPZBVJLHYGO-UHFFFAOYSA-N
Compound name
3-acetyl-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

62
Patents

203.05824 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 139.8
[M+Na]+ 226.04746 149.8
[M-H]- 202.05096 141.2
[M+NH4]+ 221.09206 157.6
[M+K]+ 242.02140 145.7
[M+H-H2O]+ 186.05550 133.8
[M+HCOO]- 248.05644 159.2
[M+CH3COO]- 262.07209 181.4
[M+Na-2H]- 224.03291 146.0
[M]+ 203.05769 139.5
[M]- 203.05879 139.5
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.