CID 86695

Benzene, 1-methoxy-2-(1-methylpropyl)-

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CCC(C)C1=CC=CC=C1OC

InChI

InChI=1S/C11H16O/c1-4-9(2)10-7-5-6-8-11(10)12-3/h5-9H,4H2,1-3H3

InChIKey

XGEOZYQKQHPUFZ-UHFFFAOYSA-N

Compound name

1-butan-2-yl-2-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 164.12012 Da
Monoisotopic Mass: 3.7
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	135.9
[M+Na]+	187.10934	143.2
[M-H]-	163.11284	139.6
[M+NH4]+	182.15394	156.9
[M+K]+	203.08328	141.9
[M+H-H2O]+	147.11738	130.3
[M+HCOO]-	209.11832	159.1
[M+CH3COO]-	223.13397	181.4
[M+Na-2H]-	185.09479	141.2
[M]+	164.11957	137.8
[M]-	164.12067	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe