CID 3024287

5-allyl-2-(pentyloxy)anisole

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

CCCCCOC1=C(C=C(C=C1)CC=C)OC

InChI

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

InChIKey

JEQOQDNQQSEKIA-UHFFFAOYSA-N

Compound name

2-methoxy-1-pentoxy-4-prop-2-enylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 234.16199 Da
Monoisotopic Mass: 4.7
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]+	235.169266	155.5
[M+Na]+	257.151208	162.5
[M-H]-	233.154714	158.7
[M+NH4]+	252.195813	173.9
[M+K]+	273.125148	159.6
[M+H-H2O]+	217.159250	149.0
[M+HCOO]-	279.160191	178.7
[M+CH3COO]-	293.175841	194.9
[M+Na-2H]-	255.136656	159.2
[M]+	234.16144142	160.6
[M]-	234.16253858	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe