CID 10353769

5h,6h,7h,8h,9h,10h-cyclohepta[b]indole-4-carboxylic acid

Structural Information

Molecular Formula
C14H15NO2
SMILES
C1CCC2=C(CC1)NC3=C2C=CC=C3C(=O)O
InChI
InChI=1S/C14H15NO2/c16-14(17)11-7-4-6-10-9-5-2-1-3-8-12(9)15-13(10)11/h4,6-7,15H,1-3,5,8H2,(H,16,17)
InChIKey
YKASTBHMLNMFOL-UHFFFAOYSA-N
Compound name
5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

229.11028 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11756 148.9
[M+Na]+ 252.09950 155.6
[M-H]- 228.10300 152.0
[M+NH4]+ 247.14410 167.1
[M+K]+ 268.07344 154.3
[M+H-H2O]+ 212.10754 144.1
[M+HCOO]- 274.10848 165.8
[M+CH3COO]- 288.12413 160.2
[M+Na-2H]- 250.08495 153.3
[M]+ 229.10973 143.9
[M]- 229.11083 143.9
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