CID 12137778

52449-44-2

Structural Information

Molecular Formula
C21H34O3
SMILES
CCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C21H34O3/c1-8-9-12-24-18(22)11-10-15-13-16(20(2,3)4)19(23)17(14-15)21(5,6)7/h13-14,23H,8-12H2,1-7H3
InChIKey
DFMYXZSEXKBYDI-UHFFFAOYSA-N
Compound name
butyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

460
Patents

334.2508 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.25808 185.8
[M+Na]+ 357.24002 195.6
[M+NH4]+ 352.28462 191.1
[M+K]+ 373.21396 190.4
[M-H]- 333.24352 185.2
[M+Na-2H]- 355.22547 188.3
[M]+ 334.25025 187.0
[M]- 334.25135 187.0
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