CID 5468215

117292-80-5

Structural Information

Molecular Formula
C18H18O4
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)OCCC2=CC=CC=C2)O
InChI
InChI=1S/C18H18O4/c1-21-17-9-7-15(13-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
InChIKey
LDEGDBUJVGNJEU-CSKARUKUSA-N
Compound name
2-phenylethyl (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

298.1205 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12778 169.4
[M+Na]+ 321.10972 175.8
[M-H]- 297.11322 174.5
[M+NH4]+ 316.15432 183.7
[M+K]+ 337.08366 171.8
[M+H-H2O]+ 281.11776 161.4
[M+HCOO]- 343.11870 191.2
[M+CH3COO]- 357.13435 199.9
[M+Na-2H]- 319.09517 172.2
[M]+ 298.11995 172.3
[M]- 298.12105 172.3
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

No patent data available for this compound.