CID 874680

6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1CCCC2=NC3=CC=CC=C3C(=C2CC1)C(=O)O
InChI
InChI=1S/C16H17NO2/c18-16(19)15-11-7-3-1-2-4-9-13(11)17-14-10-6-5-8-12(14)15/h5-6,8,10H,1-4,7,9H2,(H,18,19)
InChIKey
IDHKDXPCZXZWOZ-UHFFFAOYSA-N
Compound name
6,7,8,9,10,11-hexahydrocycloocta[b]quinoline-12-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.12593 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 160.5
[M+Na]+ 278.11515 165.0
[M-H]- 254.11865 161.6
[M+NH4]+ 273.15975 168.0
[M+K]+ 294.08909 163.8
[M+H-H2O]+ 238.12319 156.0
[M+HCOO]- 300.12413 167.2
[M+CH3COO]- 314.13978 164.4
[M+Na-2H]- 276.10060 160.6
[M]+ 255.12538 158.8
[M]- 255.12648 158.8
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.