CID 3022504

93805-71-1

Structural Information

Molecular Formula

C₁₄H₂₂O₂

SMILES

CC(C)OC(CC1=CC=CC=C1)OC(C)C

InChI

InChI=1S/C14H22O2/c1-11(2)15-14(16-12(3)4)10-13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3

InChIKey

ITNRYYFLWPMNLN-UHFFFAOYSA-N

Compound name

2,2-di(propan-2-yloxy)ethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 222.16199 Da
Monoisotopic Mass: 3.6
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]+	223.169266	154.6
[M+Na]+	245.151208	159.1
[M-H]-	221.154714	157.5
[M+NH4]+	240.195813	172.7
[M+K]+	261.125148	158.4
[M+H-H2O]+	205.159250	148.1
[M+HCOO]-	267.160191	175.0
[M+CH3COO]-	281.175841	193.0
[M+Na-2H]-	243.136656	156.3
[M]+	222.16144142	157.3
[M]-	222.16253858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe