CID 61047

Dtxsid8059508

Structural Information

Molecular Formula
C18H18O3
SMILES
CC=CC1=CC(=C(C=C1)OC(=O)CC2=CC=CC=C2)OC
InChI
InChI=1S/C18H18O3/c1-3-7-14-10-11-16(17(12-14)20-2)21-18(19)13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3
InChIKey
YYLCMLYMJHKLEJ-UHFFFAOYSA-N
Compound name
(2-methoxy-4-prop-1-enylphenyl) 2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

94
Patents

282.12558 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.13286 165.9
[M+Na]+ 305.11480 172.9
[M-H]- 281.11830 172.5
[M+NH4]+ 300.15940 181.7
[M+K]+ 321.08874 169.1
[M+H-H2O]+ 265.12284 157.9
[M+HCOO]- 327.12378 189.0
[M+CH3COO]- 341.13943 200.3
[M+Na-2H]- 303.10025 169.1
[M]+ 282.12503 169.2
[M]- 282.12613 169.2
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