CID 36182

Dtxsid701221456

Structural Information

Molecular Formula
C17H24O2
SMILES
CCOC(=O)C=CC1=CC(=CC(=C1)C(C)C)C(C)C
InChI
InChI=1S/C17H24O2/c1-6-19-17(18)8-7-14-9-15(12(2)3)11-16(10-14)13(4)5/h7-13H,6H2,1-5H3
InChIKey
CCDVTESUSACXIP-UHFFFAOYSA-N
Compound name
ethyl 3-[3,5-di(propan-2-yl)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.17764 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 163.4
[M+Na]+ 283.16686 169.3
[M-H]- 259.17036 166.7
[M+NH4]+ 278.21146 180.7
[M+K]+ 299.14080 166.8
[M+H-H2O]+ 243.17490 157.1
[M+HCOO]- 305.17584 183.3
[M+CH3COO]- 319.19149 201.3
[M+Na-2H]- 281.15231 162.4
[M]+ 260.17709 166.5
[M]- 260.17819 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

No patent data available for this compound.