CID 22172571

32580-72-6

Structural Information

Molecular Formula
C17H24O2
SMILES
CCOC(=O)/C=C/C1=C(C=C(C=C1)C(C)C)C(C)C
InChI
InChI=1S/C17H24O2/c1-6-19-17(18)10-9-14-7-8-15(12(2)3)11-16(14)13(4)5/h7-13H,6H2,1-5H3/b10-9+
InChIKey
XRLCQRMNGQRGOC-MDZDMXLPSA-N
Compound name
ethyl (E)-3-[2,4-di(propan-2-yl)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5045
Patents

260.17764 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 164.3
[M+Na]+ 283.16686 175.6
[M+NH4]+ 278.21146 171.2
[M+K]+ 299.14080 169.4
[M-H]- 259.17036 165.5
[M+Na-2H]- 281.15231 168.4
[M]+ 260.17709 166.1
[M]- 260.17819 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

patents stripe