CID 74180

1620-64-0

Structural Information

Molecular Formula
C17H26O3
SMILES
CCOC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C17H26O3/c1-8-20-15(19)11-9-12(16(2,3)4)14(18)13(10-11)17(5,6)7/h9-10,18H,8H2,1-7H3
InChIKey
ACGYFGHQFAXLCI-UHFFFAOYSA-N
Compound name
ethyl 3,5-ditert-butyl-4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

656
Patents

278.1882 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19548 165.9
[M+Na]+ 301.17742 173.3
[M-H]- 277.18092 168.8
[M+NH4]+ 296.22202 182.6
[M+K]+ 317.15136 171.4
[M+H-H2O]+ 261.18546 161.1
[M+HCOO]- 323.18640 183.2
[M+CH3COO]- 337.20205 201.3
[M+Na-2H]- 299.16287 168.3
[M]+ 278.18765 170.0
[M]- 278.18875 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe