CID 15007

3,5-di-tert-butyl-4-hydroxybenzoic acid

Structural Information

Molecular Formula
C15H22O3
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)O
InChI
InChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)
InChIKey
YEXOWHQZWLCHHD-UHFFFAOYSA-N
Compound name
3,5-ditert-butyl-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

18
References

8247
Patents

250.15689 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 159.7
[M+Na]+ 273.14611 170.2
[M+NH4]+ 268.19071 165.7
[M+K]+ 289.12005 166.7
[M-H]- 249.14961 158.8
[M+Na-2H]- 271.13156 163.1
[M]+ 250.15634 160.9
[M]- 250.15744 160.9
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