CID 22336876

120811-92-9

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC(CC1=CC=CC=C1)COC

InChI

InChI=1S/C11H16O/c1-10(9-12-2)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChIKey

YRELUSXNOZNOQI-UHFFFAOYSA-N

Compound name

(3-methoxy-2-methylpropyl)benzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 59
Patents: 164.12012 Da
Monoisotopic Mass: 2.8
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]+	165.12740	136.8
[M+Na]+	187.10934	143.1
[M-H]-	163.11284	140.1
[M+NH4]+	182.15394	157.5
[M+K]+	203.08328	141.8
[M+H-H2O]+	147.11738	130.9
[M+HCOO]-	209.11832	160.0
[M+CH3COO]-	223.13397	180.3
[M+Na-2H]-	185.09479	142.8
[M]+	164.11957	138.3
[M]-	164.12067	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe