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]+ 231.13796 151.9
[M+Na]+ 253.11990 161.2
[M-H]- 229.12340 160.0
[M+NH4]+ 248.16450 164.3
[M+K]+ 269.09384 158.0
[M+H-H2O]+ 213.12794 144.6
[M+HCOO]- 275.12888 174.8
[M+CH3COO]- 289.14453 195.3
[M+Na-2H]- 251.10535 157.1
[M]+ 230.13013 157.9
[M]- 230.13123 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