CID 12962925

Octahydro-1h-indene-3a-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CCC2(CCCC2C1)C(=O)O

InChI

InChI=1S/C10H16O2/c11-9(12)10-6-2-1-4-8(10)5-3-7-10/h8H,1-7H2,(H,11,12)

InChIKey

OKTPRGBVHMUMMW-UHFFFAOYSA-N

Compound name

1,2,3,4,5,6,7,7a-octahydroindene-3a-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.11504 Da
Monoisotopic Mass: 2.8
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]+	169.12232	139.4
[M+Na]+	191.10426	147.7
[M+NH4]+	186.14886	149.8
[M+K]+	207.07820	142.2
[M-H]-	167.10776	140.2
[M+Na-2H]-	189.08971	143.3
[M]+	168.11449	140.6
[M]-	168.11559	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe