CID 3124342

3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C13H13NO2
SMILES
C1C=CC2C1C(NC3=CC=CC=C23)C(=O)O
InChI
InChI=1S/C13H13NO2/c15-13(16)12-10-6-3-5-8(10)9-4-1-2-7-11(9)14-12/h1-5,7-8,10,12,14H,6H2,(H,15,16)
InChIKey
WRJCENKZISEXPF-UHFFFAOYSA-N
Compound name
3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

215.09464 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 146.5
[M+Na]+ 238.08386 153.7
[M-H]- 214.08736 147.7
[M+NH4]+ 233.12846 166.1
[M+K]+ 254.05780 148.9
[M+H-H2O]+ 198.09190 140.5
[M+HCOO]- 260.09284 162.5
[M+CH3COO]- 274.10849 157.9
[M+Na-2H]- 236.06931 150.6
[M]+ 215.09409 142.4
[M]- 215.09519 142.4
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