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

No literature data available for this compound.

Patent stripe

patents stripe