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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.078596	158.1
[M+Na]+	286.060538	167.6
[M-H]-	262.064044	159.7
[M+NH4]+	281.105143	177.4
[M+K]+	302.034478	160.9
[M+H-H2O]+	246.068580	153.2
[M+HCOO]-	308.069521	169.2
[M+CH3COO]-	322.085171	169.4
[M+Na-2H]-	284.045986	159.9
[M]+	263.07077142	157.3
[M]-	263.07186858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe