CID 6437390

32766-80-6

Structural Information

Molecular Formula
C18H26O2
SMILES
CCC1=CC=C(C=C1)OC/C=C(\C)/CCC2C(O2)(C)C
InChI
InChI=1S/C18H26O2/c1-5-15-7-9-16(10-8-15)19-13-12-14(2)6-11-17-18(3,4)20-17/h7-10,12,17H,5-6,11,13H2,1-4H3/b14-12+
InChIKey
VBRBNWWNRIMAII-WYMLVPIESA-N
Compound name
3-[(E)-5-(4-ethylphenoxy)-3-methylpent-3-enyl]-2,2-dimethyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

61
Patents

274.19327 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20055 165.1
[M+Na]+ 297.18249 173.4
[M-H]- 273.18599 173.1
[M+NH4]+ 292.22709 177.9
[M+K]+ 313.15643 171.6
[M+H-H2O]+ 257.19053 158.6
[M+HCOO]- 319.19147 185.6
[M+CH3COO]- 333.20712 204.4
[M+Na-2H]- 295.16794 168.7
[M]+ 274.19272 172.6
[M]- 274.19382 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe