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]+ 256.133206 160.5
[M+Na]+ 278.115148 165.0
[M-H]- 254.118654 161.6
[M+NH4]+ 273.159753 168.0
[M+K]+ 294.089088 163.8
[M+H-H2O]+ 238.123190 156.0
[M+HCOO]- 300.124131 167.2
[M+CH3COO]- 314.139781 164.4
[M+Na-2H]- 276.100596 160.6
[M]+ 255.12538142 158.8
[M]- 255.12647858 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.