CID 96408

64050-16-4

Structural Information

Molecular Formula
C21H32O3
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCCOC(=O)C=C)C(C)(C)CC
InChI
InChI=1S/C21H32O3/c1-8-19(22)24-14-13-23-18-12-11-16(20(4,5)9-2)15-17(18)21(6,7)10-3/h8,11-12,15H,1,9-10,13-14H2,2-7H3
InChIKey
MMXPBYQIASNXFL-UHFFFAOYSA-N
Compound name
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.23514 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.242416 183.2
[M+Na]+ 355.224358 188.5
[M-H]- 331.227864 186.2
[M+NH4]+ 350.268963 197.7
[M+K]+ 371.198298 185.8
[M+H-H2O]+ 315.232400 177.0
[M+HCOO]- 377.233341 200.8
[M+CH3COO]- 391.248991 215.0
[M+Na-2H]- 353.209806 184.6
[M]+ 332.23459142 189.7
[M]- 332.23568858 189.7
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.