CID 5377681

Methyl 4-styrylcinnamate

Structural Information

Molecular Formula
C18H16O2
SMILES
COC(=O)/C=C/C1=CC=C(C=C1)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H16O2/c1-20-18(19)14-13-17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h2-14H,1H3/b8-7+,14-13+
InChIKey
XXBDOBCPYGFGCH-SCCLZRITSA-N
Compound name
methyl (E)-3-[4-[(E)-2-phenylethenyl]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.11502 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.122296 162.0
[M+Na]+ 287.104238 168.6
[M-H]- 263.107744 168.3
[M+NH4]+ 282.148843 178.3
[M+K]+ 303.078178 163.6
[M+H-H2O]+ 247.112280 154.2
[M+HCOO]- 309.113221 185.1
[M+CH3COO]- 323.128871 195.6
[M+Na-2H]- 285.089686 166.0
[M]+ 264.11447142 162.7
[M]- 264.11556858 162.7
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.