CID 15756

Brn 1314755

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

C1CC=CC(C1)C2OCC3(CCC=CC3)CO2

InChI

InChI=1S/C15H22O2/c1-3-7-13(8-4-1)14-16-11-15(12-17-14)9-5-2-6-10-15/h2-3,5,7,13-14H,1,4,6,8-12H2

InChIKey

BDOJPWOZFUFVKA-UHFFFAOYSA-N

Compound name

3-cyclohex-2-en-1-yl-2,4-dioxaspiro[5.5]undec-9-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 234.16199 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]+	235.169266	155.2
[M+Na]+	257.151208	157.4
[M-H]-	233.154714	163.2
[M+NH4]+	252.195813	171.5
[M+K]+	273.125148	157.2
[M+H-H2O]+	217.159250	147.2
[M+HCOO]-	279.160191	169.1
[M+CH3COO]-	293.175841	165.6
[M+Na-2H]-	255.136656	161.0
[M]+	234.16144142	147.0
[M]-	234.16253858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe