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]+ 333.24242 183.2
[M+Na]+ 355.22436 188.5
[M-H]- 331.22786 186.2
[M+NH4]+ 350.26896 197.7
[M+K]+ 371.19830 185.8
[M+H-H2O]+ 315.23240 177.0
[M+HCOO]- 377.23334 200.8
[M+CH3COO]- 391.24899 215.0
[M+Na-2H]- 353.20981 184.6
[M]+ 332.23459 189.7
[M]- 332.23569 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.