CID 165844420

2408968-74-9

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

C1CC12CC23CC(C3)C(=O)O

InChI

InChI=1S/C9H12O2/c10-7(11)6-3-9(4-6)5-8(9)1-2-8/h6H,1-5H2,(H,10,11)

InChIKey

QPIZVEAXLVBUNM-UHFFFAOYSA-N

Compound name

dispiro[2.0.34.13]octane-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.08372 Da
Monoisotopic Mass: 1.6
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]+	153.09100	123.0
[M+Na]+	175.07294	131.4
[M+NH4]+	170.11754	131.0
[M+K]+	191.04688	129.3
[M-H]-	151.07644	134.7
[M+Na-2H]-	173.05839	133.2
[M]+	152.08317	128.8
[M]-	152.08427	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.