CID 12576680

2,6-di-tert-butyl-4-vinylphenol

Structural Information

Molecular Formula
C16H24O
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C
InChI
InChI=1S/C16H24O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h8-10,17H,1H2,2-7H3
InChIKey
ZMRCFZFFKWFWSK-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-ethenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

290
Patents

232.18271 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 155.0
[M+Na]+ 255.171928 163.2
[M-H]- 231.175434 158.0
[M+NH4]+ 250.216533 173.7
[M+K]+ 271.145868 159.8
[M+H-H2O]+ 215.179970 150.7
[M+HCOO]- 277.180911 173.1
[M+CH3COO]- 291.196561 194.0
[M+Na-2H]- 253.157376 158.8
[M]+ 232.18216142 156.5
[M]- 232.18325858 156.5
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