CID 605679

83803-80-9

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CCCCC1=CC=C(C=C1)C(OCC)OCC

InChI

InChI=1S/C15H24O2/c1-4-7-8-13-9-11-14(12-10-13)15(16-5-2)17-6-3/h9-12,15H,4-8H2,1-3H3

InChIKey

VZIJDIWCWDYVFM-UHFFFAOYSA-N

Compound name

1-butyl-4-(diethoxymethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 236.17763 Da
Monoisotopic Mass: 4.2
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]+	237.184906	158.2
[M+Na]+	259.166848	163.7
[M-H]-	235.170354	161.1
[M+NH4]+	254.211453	176.2
[M+K]+	275.140788	161.9
[M+H-H2O]+	219.174890	151.5
[M+HCOO]-	281.175831	180.3
[M+CH3COO]-	295.191481	195.4
[M+Na-2H]-	257.152296	161.2
[M]+	236.17708142	163.0
[M]-	236.17817858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe