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

10
Patents

217.0739 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 145.1
[M+Na]+ 240.06312 155.4
[M-H]- 216.06662 146.7
[M+NH4]+ 235.10772 162.7
[M+K]+ 256.03706 151.7
[M+H-H2O]+ 200.07116 139.1
[M+HCOO]- 262.07210 164.0
[M+CH3COO]- 276.08775 186.4
[M+Na-2H]- 238.04857 150.1
[M]+ 217.07335 146.3
[M]- 217.07445 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