CID 14326294

Dtxsid601010218

Structural Information

Molecular Formula

C₁₃H₂₃ClO₂

SMILES

CC(C)(C)C1CCC2(CC1)OCC(O2)CCl

InChI

InChI=1S/C13H23ClO2/c1-12(2,3)10-4-6-13(7-5-10)15-9-11(8-14)16-13/h10-11H,4-9H2,1-3H3

InChIKey

KIXLXDKXQXRUSB-UHFFFAOYSA-N

Compound name

8-tert-butyl-3-(chloromethyl)-1,4-dioxaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 246.13866 Da
Monoisotopic Mass: 3.5
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]+	247.14594	158.0
[M+Na]+	269.12788	163.7
[M-H]-	245.13138	163.9
[M+NH4]+	264.17248	177.8
[M+K]+	285.10182	162.6
[M+H-H2O]+	229.13592	154.2
[M+HCOO]-	291.13686	168.5
[M+CH3COO]-	305.15251	189.5
[M+Na-2H]-	267.11333	162.3
[M]+	246.13811	157.2
[M]-	246.13921	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe