CID 85878

15591-90-9

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

C1CC2C(C1)C3CC2CC34OCCO4

InChI

InChI=1S/C12H18O2/c1-2-9-8-6-11(10(9)3-1)12(7-8)13-4-5-14-12/h8-11H,1-7H2

InChIKey

HIDQGLHUSVXEQZ-UHFFFAOYSA-N

Compound name

spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2
Patents: 194.13068 Da
Monoisotopic Mass: 2.4
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	146.1
[M+Na]+	217.119898	152.8
[M-H]-	193.123404	153.0
[M+NH4]+	212.164503	174.1
[M+K]+	233.093838	152.2
[M+H-H2O]+	177.127940	144.6
[M+HCOO]-	239.128881	163.2
[M+CH3COO]-	253.144531	159.3
[M+Na-2H]-	215.105346	147.2
[M]+	194.13013142	144.1
[M]-	194.13122858	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe