CID 5461811

1-ethenyl-2-(1-methylethoxy)benzene

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

CC(C)OC1=CC=CC=C1C=C

InChI

InChI=1S/C11H14O/c1-4-10-7-5-6-8-11(10)12-9(2)3/h4-9H,1H2,2-3H3

InChIKey

SXCKVSZTZAMSRS-UHFFFAOYSA-N

Compound name

1-ethenyl-2-propan-2-yloxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 238
Patents: 162.10446 Da
Monoisotopic Mass: 3.5
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]+	163.11174	134.3
[M+Na]+	185.09368	141.9
[M-H]-	161.09718	138.1
[M+NH4]+	180.13828	155.4
[M+K]+	201.06762	140.0
[M+H-H2O]+	145.10172	128.9
[M+HCOO]-	207.10266	157.8
[M+CH3COO]-	221.11831	180.5
[M+Na-2H]-	183.07913	139.7
[M]+	162.10391	135.5
[M]-	162.10501	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe