CID 22172571

Ethyl 2,4-diisopropylcinnamate

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
3
Annotation Hits

0
References

5562
Patents

260.17764 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.184916 163.4
[M+Na]+ 283.166858 169.3
[M-H]- 259.170364 166.7
[M+NH4]+ 278.211463 180.7
[M+K]+ 299.140798 166.8
[M+H-H2O]+ 243.174900 157.1
[M+HCOO]- 305.175841 183.3
[M+CH3COO]- 319.191491 201.3
[M+Na-2H]- 281.152306 162.4
[M]+ 260.17709142 166.5
[M]- 260.17818858 166.5
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