CID 2791194

3-methyl-2,3,4,9-tetrahydro-1h-carbazole-6-carboxylic acid

Structural Information

Molecular Formula
C14H15NO2
SMILES
CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)O
InChI
InChI=1S/C14H15NO2/c1-8-2-4-12-10(6-8)11-7-9(14(16)17)3-5-13(11)15-12/h3,5,7-8,15H,2,4,6H2,1H3,(H,16,17)
InChIKey
WKBUQRILUMGUTL-UHFFFAOYSA-N
Compound name
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

229.11028 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 150.2
[M+Na]+ 252.09950 159.0
[M-H]- 228.10300 152.1
[M+NH4]+ 247.14410 169.8
[M+K]+ 268.07344 153.8
[M+H-H2O]+ 212.10754 144.4
[M+HCOO]- 274.10848 167.4
[M+CH3COO]- 288.12413 162.1
[M+Na-2H]- 250.08495 154.2
[M]+ 229.10973 148.4
[M]- 229.11083 148.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe