CID 20549655

42757-89-1

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC1=CC2=C(C(=C(N=C2C=C1)C)O)C(=O)O
InChI
InChI=1S/C12H11NO3/c1-6-3-4-9-8(5-6)10(12(15)16)11(14)7(2)13-9/h3-5,14H,1-2H3,(H,15,16)
InChIKey
NHCASWVQOVFTLZ-UHFFFAOYSA-N
Compound name
3-hydroxy-2,6-dimethylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

217.0739 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.081176 145.1
[M+Na]+ 240.063118 155.4
[M-H]- 216.066624 146.7
[M+NH4]+ 235.107723 162.7
[M+K]+ 256.037058 151.7
[M+H-H2O]+ 200.071160 139.1
[M+HCOO]- 262.072101 164.0
[M+CH3COO]- 276.087751 186.4
[M+Na-2H]- 238.048566 150.1
[M]+ 217.07335142 146.3
[M]- 217.07444858 146.3
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