CID 3757934

7-chloro-6-methyl-3a,4,5,9b-tetrahydro-3h-cyclopenta[c]quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C14H14ClNO2
SMILES
CC1=C(C=CC2=C1NC(C3C2C=CC3)C(=O)O)Cl
InChI
InChI=1S/C14H14ClNO2/c1-7-11(15)6-5-10-8-3-2-4-9(8)13(14(17)18)16-12(7)10/h2-3,5-6,8-9,13,16H,4H2,1H3,(H,17,18)
InChIKey
XFHJYHWLYWRLBP-UHFFFAOYSA-N
Compound name
7-chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

263.07132 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07860 158.1
[M+Na]+ 286.06054 167.6
[M-H]- 262.06404 159.7
[M+NH4]+ 281.10514 177.4
[M+K]+ 302.03448 160.9
[M+H-H2O]+ 246.06858 153.2
[M+HCOO]- 308.06952 169.2
[M+CH3COO]- 322.08517 169.4
[M+Na-2H]- 284.04599 159.9
[M]+ 263.07077 157.3
[M]- 263.07187 157.3
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