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 163.6
[M+Na]+ 293.11480 170.7
[M-H]- 269.11830 171.1
[M+NH4]+ 288.15940 180.5
[M+K]+ 309.08874 168.8
[M+H-H2O]+ 253.12284 157.3
[M+HCOO]- 315.12378 185.4
[M+CH3COO]- 329.13943 195.7
[M+Na-2H]- 291.10025 167.4
[M]+ 270.12503 167.1
[M]- 270.12613 167.1
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.