CID 6455148

5,7-dihydroxy-2-methyl-2,3-dihydroquinolin-4(1h)-one

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC1CC(=O)C2=C(N1)C=C(C=C2O)O
InChI
InChI=1S/C10H11NO3/c1-5-2-8(13)10-7(11-5)3-6(12)4-9(10)14/h3-5,11-12,14H,2H2,1H3
InChIKey
BNEPFPNDLPNULY-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-methyl-2,3-dihydro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

193.0739 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 139.8
[M+Na]+ 216.063118 148.7
[M-H]- 192.066624 139.5
[M+NH4]+ 211.107723 157.6
[M+K]+ 232.037058 144.5
[M+H-H2O]+ 176.071160 134.4
[M+HCOO]- 238.072101 155.9
[M+CH3COO]- 252.087751 177.8
[M+Na-2H]- 214.048566 144.5
[M]+ 193.07335142 136.2
[M]- 193.07444858 136.2
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

patents stripe