CID 116740

71078-31-4

Structural Information

Molecular Formula

C₁₃H₂₀O

SMILES

CC1CC=C(C2(C1C)C=CC(O2)C)C

InChI

InChI=1S/C13H20O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14-13/h6-9,11-12H,5H2,1-4H3

InChIKey

WYTVJTNOJJKEEQ-UHFFFAOYSA-N

Compound name

2,6,9,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 312
Patents: 192.15141 Da
Monoisotopic Mass: 2.9
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]+	193.15869	143.2
[M+Na]+	215.14063	155.8
[M+NH4]+	210.18523	154.5
[M+K]+	231.11457	148.9
[M-H]-	191.14413	148.3
[M+Na-2H]-	213.12608	149.9
[M]+	192.15086	146.7
[M]-	192.15196	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe