CID 110728

2,4,6-tri-sec-butylphenol

Structural Information

Molecular Formula
C18H30O
SMILES
CCC(C)C1=CC(=C(C(=C1)C(C)CC)O)C(C)CC
InChI
InChI=1S/C18H30O/c1-7-12(4)15-10-16(13(5)8-2)18(19)17(11-15)14(6)9-3/h10-14,19H,7-9H2,1-6H3
InChIKey
LAVMWOGIDKQCDK-UHFFFAOYSA-N
Compound name
2,4,6-tri(butan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

168
Patents

262.22968 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 167.1
[M+Na]+ 285.21890 172.3
[M-H]- 261.22240 169.0
[M+NH4]+ 280.26350 183.9
[M+K]+ 301.19284 169.5
[M+H-H2O]+ 245.22694 161.2
[M+HCOO]- 307.22788 184.4
[M+CH3COO]- 321.24353 204.0
[M+Na-2H]- 283.20435 164.3
[M]+ 262.22913 169.2
[M]- 262.23023 169.2
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