CID 38620

2,6-diallylphenyl 2,3-epoxypropyl ether

Structural Information

Molecular Formula
C15H18O2
SMILES
C=CCC1=C(C(=CC=C1)CC=C)OCC2CO2
InChI
InChI=1S/C15H18O2/c1-3-6-12-8-5-9-13(7-4-2)15(12)17-11-14-10-16-14/h3-5,8-9,14H,1-2,6-7,10-11H2
InChIKey
AKWBUTFNFOLZHD-UHFFFAOYSA-N
Compound name
2-[[2,6-bis(prop-2-enyl)phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

230.13068 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.137956 151.9
[M+Na]+ 253.119898 161.2
[M-H]- 229.123404 160.0
[M+NH4]+ 248.164503 164.3
[M+K]+ 269.093838 158.0
[M+H-H2O]+ 213.127940 144.6
[M+HCOO]- 275.128881 174.8
[M+CH3COO]- 289.144531 195.3
[M+Na-2H]- 251.105346 157.1
[M]+ 230.13013142 157.9
[M]- 230.13122858 157.9
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

patents stripe