CID 3020207

84885-27-8

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

CC=CC1=CC(=C(C=C1)OCCC(C)C)OC

InChI

InChI=1S/C15H22O2/c1-5-6-13-7-8-14(15(11-13)16-4)17-10-9-12(2)3/h5-8,11-12H,9-10H2,1-4H3

InChIKey

AJAOXJQJCYZJNH-UHFFFAOYSA-N

Compound name

2-methoxy-1-(3-methylbutoxy)-4-prop-1-enylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 234.16199 Da
Monoisotopic Mass: 4.5
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]+	235.169266	155.9
[M+Na]+	257.151208	162.8
[M-H]-	233.154714	159.3
[M+NH4]+	252.195813	174.4
[M+K]+	273.125148	160.4
[M+H-H2O]+	217.159250	149.6
[M+HCOO]-	279.160191	178.2
[M+CH3COO]-	293.175841	195.1
[M+Na-2H]-	255.136656	158.4
[M]+	234.16144142	160.3
[M]-	234.16253858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe