CID 45051258

853349-57-2

Structural Information

Molecular Formula
C17H18O3
SMILES
CC(C)(C)C1=CC=C(C=C1)OC(=O)/C=C/C2=CC=CO2
InChI
InChI=1S/C17H18O3/c1-17(2,3)13-6-8-15(9-7-13)20-16(18)11-10-14-5-4-12-19-14/h4-12H,1-3H3/b11-10+
InChIKey
QZMNJYHWSQAFCB-ZHACJKMWSA-N
Compound name
(4-tert-butylphenyl) (E)-3-(furan-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12558 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 163.3
[M+Na]+ 293.11480 175.4
[M+NH4]+ 288.15940 170.5
[M+K]+ 309.08874 171.3
[M-H]- 269.11830 166.9
[M+Na-2H]- 291.10025 169.7
[M]+ 270.12503 166.1
[M]- 270.12613 166.1
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.