CID 155822848

2567502-89-8

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

C1CC2(C1)CC3(C2)CC(C3)CC(=O)O

InChI

InChI=1S/C12H18O2/c13-10(14)4-9-5-12(6-9)7-11(8-12)2-1-3-11/h9H,1-8H2,(H,13,14)

InChIKey

VYLWEGXIHCRVIJ-UHFFFAOYSA-N

Compound name

2-dispiro[3.1.36.14]decan-8-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.13068 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]+	195.137956	135.3
[M+Na]+	217.119898	137.6
[M-H]-	193.123404	140.8
[M+NH4]+	212.164503	138.5
[M+K]+	233.093838	142.6
[M+H-H2O]+	177.127940	121.7
[M+HCOO]-	239.128881	147.8
[M+CH3COO]-	253.144531	207.2
[M+Na-2H]-	215.105346	139.2
[M]+	194.13013142	154.1
[M]-	194.13122858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.