CID 4713515

7-methoxy-1h,2h,3h-cyclopenta[b]quinoline-9-carboxylic acid

Structural Information

Molecular Formula
C14H13NO3
SMILES
COC1=CC2=C(C=C1)N=C3CCCC3=C2C(=O)O
InChI
InChI=1S/C14H13NO3/c1-18-8-5-6-12-10(7-8)13(14(16)17)9-3-2-4-11(9)15-12/h5-7H,2-4H2,1H3,(H,16,17)
InChIKey
ABBJPLPOCNJGJQ-UHFFFAOYSA-N
Compound name
7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 152.4
[M+Na]+ 266.07876 161.4
[M-H]- 242.08226 155.6
[M+NH4]+ 261.12336 172.0
[M+K]+ 282.05270 157.7
[M+H-H2O]+ 226.08680 146.1
[M+HCOO]- 288.08774 171.3
[M+CH3COO]- 302.10339 191.5
[M+Na-2H]- 264.06421 156.9
[M]+ 243.08899 153.8
[M]- 243.09009 153.8
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.