CID 564931

Benzene, [(3-methyl-2-butenyl)oxy]-

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

CC(=CCOC1=CC=CC=C1)C

InChI

InChI=1S/C11H14O/c1-10(2)8-9-12-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3

InChIKey

UVMBQNGBJXHCNP-UHFFFAOYSA-N

Compound name

3-methylbut-2-enoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 96
Patents: 162.10446 Da
Monoisotopic Mass: 3.8
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]+	163.111736	135.5
[M+Na]+	185.093678	142.2
[M-H]-	161.097184	138.9
[M+NH4]+	180.138283	156.3
[M+K]+	201.067618	140.3
[M+H-H2O]+	145.101720	129.8
[M+HCOO]-	207.102661	158.9
[M+CH3COO]-	221.118311	178.8
[M+Na-2H]-	183.079126	141.5
[M]+	162.10391142	136.2
[M]-	162.10500858	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe