CID 57811

4-allyloxy-3,5-diisopropylbenzoic acid ethyl ester

Structural Information

Molecular Formula
C18H26O3
SMILES
CCOC(=O)C1=CC(=C(C(=C1)C(C)C)OCC=C)C(C)C
InChI
InChI=1S/C18H26O3/c1-7-9-21-17-15(12(3)4)10-14(18(19)20-8-2)11-16(17)13(5)6/h7,10-13H,1,8-9H2,2-6H3
InChIKey
KPZHGODZBXGYDV-UHFFFAOYSA-N
Compound name
ethyl 3,5-di(propan-2-yl)-4-prop-2-enoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1882 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.195476 169.9
[M+Na]+ 313.177418 176.1
[M-H]- 289.180924 173.3
[M+NH4]+ 308.222023 186.1
[M+K]+ 329.151358 174.0
[M+H-H2O]+ 273.185460 163.4
[M+HCOO]- 335.186401 189.6
[M+CH3COO]- 349.202051 208.2
[M+Na-2H]- 311.162866 167.8
[M]+ 290.18765142 175.3
[M]- 290.18874858 175.3
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.