CID 10922843

13677-69-5

Structural Information

Molecular Formula
C17H26O
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC=C
InChI
InChI=1S/C17H26O/c1-8-9-12-10-13(16(2,3)4)15(18)14(11-12)17(5,6)7/h8,10-11,18H,1,9H2,2-7H3
InChIKey
XEDOURVJTJGZAF-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

613
Patents

246.19836 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 159.7
[M+Na]+ 269.18758 167.5
[M-H]- 245.19108 162.5
[M+NH4]+ 264.23218 177.8
[M+K]+ 285.16152 163.9
[M+H-H2O]+ 229.19562 155.2
[M+HCOO]- 291.19656 177.5
[M+CH3COO]- 305.21221 197.0
[M+Na-2H]- 267.17303 163.0
[M]+ 246.19781 161.6
[M]- 246.19891 161.6
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