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

literature stripe

Patent stripe

patents stripe