CID 21239669

3-methyl-2,3,4,9-tetrahydro-1h-carbazole-8-carboxylic acid

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

CC1CCC2=C(C1)C3=C(N2)C(=CC=C3)C(=O)O

InChI

InChI=1S/C14H15NO2/c1-8-5-6-12-11(7-8)9-3-2-4-10(14(16)17)13(9)15-12/h2-4,8,15H,5-7H2,1H3,(H,16,17)

InChIKey

YDECTAHOPWOBON-UHFFFAOYSA-N

Compound name

6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 229.11028 Da
Monoisotopic Mass: 3.1
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]+	230.117556	150.2
[M+Na]+	252.099498	159.0
[M-H]-	228.103004	152.1
[M+NH4]+	247.144103	169.8
[M+K]+	268.073438	153.8
[M+H-H2O]+	212.107540	144.4
[M+HCOO]-	274.108481	167.4
[M+CH3COO]-	288.124131	162.1
[M+Na-2H]-	250.084946	154.2
[M]+	229.10973142	148.4
[M]-	229.11082858	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe