CID 2063433

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

Structural Information

Molecular Formula
C13H13NO2
SMILES
C1CCC2=C(C1)C3=C(N2)C(=CC=C3)C(=O)O
InChI
InChI=1S/C13H13NO2/c15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h3,5-6,14H,1-2,4,7H2,(H,15,16)
InChIKey
POBJTDRFZSKTBC-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

20
Patents

215.09464 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 145.4
[M+Na]+ 238.08386 153.7
[M-H]- 214.08736 147.0
[M+NH4]+ 233.12846 165.3
[M+K]+ 254.05780 148.7
[M+H-H2O]+ 198.09190 139.5
[M+HCOO]- 260.09284 163.0
[M+CH3COO]- 274.10849 157.4
[M+Na-2H]- 236.06931 150.6
[M]+ 215.09409 142.8
[M]- 215.09519 142.8
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