CID 113456

97889-98-0

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

CC1C(OC(O1)C(C)(C)CC2=CC=CC=C2)C

InChI

InChI=1S/C15H22O2/c1-11-12(2)17-14(16-11)15(3,4)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3

InChIKey

SLFGDPCCOZHKSS-UHFFFAOYSA-N

Compound name

4,5-dimethyl-2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.16199 Da
Monoisotopic Mass: 3.9
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]+	235.169266	154.9
[M+Na]+	257.151208	161.6
[M-H]-	233.154714	162.8
[M+NH4]+	252.195813	172.3
[M+K]+	273.125148	161.5
[M+H-H2O]+	217.159250	149.6
[M+HCOO]-	279.160191	174.0
[M+CH3COO]-	293.175841	192.5
[M+Na-2H]-	255.136656	159.3
[M]+	234.16144142	156.8
[M]-	234.16253858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.