CID 4961911

885461-48-3

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

C1CCC2=C(CC1)NC3=C2C=C(C=C3)C(=O)O

InChI

InChI=1S/C14H15NO2/c16-14(17)9-6-7-13-11(8-9)10-4-2-1-3-5-12(10)15-13/h6-8,15H,1-5H2,(H,16,17)

InChIKey

SIZBLUIRHOCGJA-UHFFFAOYSA-N

Compound name

5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.11028 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	230.117556	148.9
[M+Na]+	252.099498	155.6
[M-H]-	228.103004	152.0
[M+NH4]+	247.144103	167.1
[M+K]+	268.073438	154.3
[M+H-H2O]+	212.107540	144.1
[M+HCOO]-	274.108481	165.8
[M+CH3COO]-	288.124131	160.2
[M+Na-2H]-	250.084946	153.3
[M]+	229.10973142	143.9
[M]-	229.11082858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.