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

literature stripe

Patent stripe

patents stripe