CID 93649

Benzyl eugenol

Structural Information

Molecular Formula
C17H18O2
SMILES
COC1=C(C=CC(=C1)CC=C)OCC2=CC=CC=C2
InChI
InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-6,8-12H,1,7,13H2,2H3
InChIKey
NSCLRALYUOMPCL-UHFFFAOYSA-N
Compound name
2-methoxy-1-phenylmethoxy-4-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

168
Patents

254.13068 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 158.6
[M+Na]+ 277.11990 166.0
[M-H]- 253.12340 165.2
[M+NH4]+ 272.16450 175.6
[M+K]+ 293.09384 162.0
[M+H-H2O]+ 237.12794 150.8
[M+HCOO]- 299.12888 182.6
[M+CH3COO]- 313.14453 196.5
[M+Na-2H]- 275.10535 163.6
[M]+ 254.13013 161.6
[M]- 254.13123 161.6
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