CID 139594212

Ns00003700

Structural Information

Molecular Formula
C20H32O3
SMILES
CC(C)C(C)C(C1=CC=C(C=C1)OCCOCC2CO2)C(C)C
InChI
InChI=1S/C20H32O3/c1-14(2)16(5)20(15(3)4)17-6-8-18(9-7-17)22-11-10-21-12-19-13-23-19/h6-9,14-16,19-20H,10-13H2,1-5H3
InChIKey
APXQLCRMCHDETR-UHFFFAOYSA-N
Compound name
2-[2-[4-(2,4,5-trimethylhexan-3-yl)phenoxy]ethoxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.23514 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.242416 177.4
[M+Na]+ 343.224358 182.0
[M-H]- 319.227864 184.4
[M+NH4]+ 338.268963 185.8
[M+K]+ 359.198298 181.0
[M+H-H2O]+ 303.232400 169.4
[M+HCOO]- 365.233341 194.8
[M+CH3COO]- 379.248991 215.2
[M+Na-2H]- 341.209806 176.2
[M]+ 320.23459142 185.2
[M]- 320.23568858 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.