CID 144778

76487-56-4

Structural Information

Molecular Formula
C18H18O4
SMILES
COC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCC=C
InChI
InChI=1S/C18H18O4/c1-3-4-13-21-16-7-5-14(6-8-16)18(19)22-17-11-9-15(20-2)10-12-17/h3,5-12H,1,4,13H2,2H3
InChIKey
CXPLNUIZUUBDCU-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) 4-but-3-enoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

298.1205 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12778 168.8
[M+Na]+ 321.10972 175.5
[M-H]- 297.11322 175.3
[M+NH4]+ 316.15432 183.7
[M+K]+ 337.08366 172.4
[M+H-H2O]+ 281.11776 160.4
[M+HCOO]- 343.11870 192.0
[M+CH3COO]- 357.13435 203.0
[M+Na-2H]- 319.09517 172.1
[M]+ 298.11995 173.6
[M]- 298.12105 173.6
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