CID 10017976

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

Structural Information

Molecular Formula
C20H19NO2
SMILES
C1CCC2=C(C1)C3=C(N2CC4=CC=CC=C4)C(=CC=C3)C(=O)O
InChI
InChI=1S/C20H19NO2/c22-20(23)17-11-6-10-16-15-9-4-5-12-18(15)21(19(16)17)13-14-7-2-1-3-8-14/h1-3,6-8,10-11H,4-5,9,12-13H2,(H,22,23)
InChIKey
VDOXYKGIKBUISK-UHFFFAOYSA-N
Compound name
9-benzyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

305.14157 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14885 171.3
[M+Na]+ 328.13079 178.9
[M-H]- 304.13429 177.2
[M+NH4]+ 323.17539 187.7
[M+K]+ 344.10473 172.7
[M+H-H2O]+ 288.13883 163.0
[M+HCOO]- 350.13977 189.2
[M+CH3COO]- 364.15542 182.1
[M+Na-2H]- 326.11624 174.5
[M]+ 305.14102 170.6
[M]- 305.14212 170.6
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