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

6
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

No literature data available for this compound.

Patent stripe

patents stripe