CID 204477

Brn 0250463

Structural Information

Molecular Formula

C₁₅H₂₂O₅

SMILES

CCCCOCCOCCOC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H22O5/c1-2-3-6-16-7-8-17-9-10-18-13-4-5-14-15(11-13)20-12-19-14/h4-5,11H,2-3,6-10,12H2,1H3

InChIKey

XGFMWQQUKDCKNY-UHFFFAOYSA-N

Compound name

5-[2-(2-butoxyethoxy)ethoxy]-1,3-benzodioxole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 282.14673 Da
Monoisotopic Mass: 2.7
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]+	283.154006	164.6
[M+Na]+	305.135948	170.4
[M-H]-	281.139454	169.4
[M+NH4]+	300.180553	180.6
[M+K]+	321.109888	171.2
[M+H-H2O]+	265.143990	158.1
[M+HCOO]-	327.144931	185.5
[M+CH3COO]-	341.160581	198.5
[M+Na-2H]-	303.121396	170.5
[M]+	282.14618142	173.5
[M]-	282.14727858	173.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe