CID 54154094

141214-18-8

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

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

InChI

InChI=1S/C15H24O/c1-10(2)13-8-7-9-14(11(3)4)15(13)16-12(5)6/h7-12H,1-6H3

InChIKey

APXUVWNNDMEOEC-UHFFFAOYSA-N

Compound name

1,3-di(propan-2-yl)-2-propan-2-yloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 220.18271 Da
Monoisotopic Mass: 4.9
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]+	221.189986	153.3
[M+Na]+	243.171928	159.4
[M-H]-	219.175434	156.9
[M+NH4]+	238.216533	172.3
[M+K]+	259.145868	158.1
[M+H-H2O]+	203.179970	147.5
[M+HCOO]-	265.180911	173.2
[M+CH3COO]-	279.196561	196.4
[M+Na-2H]-	241.157376	153.4
[M]+	220.18216142	155.8
[M]-	220.18325858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe