CID 104165

2,6-diisobutylphenol

Structural Information

Molecular Formula
C14H22O
SMILES
CC(C)CC1=C(C(=CC=C1)CC(C)C)O
InChI
InChI=1S/C14H22O/c1-10(2)8-12-6-5-7-13(14(12)15)9-11(3)4/h5-7,10-11,15H,8-9H2,1-4H3
InChIKey
JRPBSTGRRSTANR-UHFFFAOYSA-N
Compound name
2,6-bis(2-methylpropyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

715
Patents

206.16707 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 149.8
[M+Na]+ 229.15629 156.1
[M-H]- 205.15979 152.1
[M+NH4]+ 224.20089 168.7
[M+K]+ 245.13023 153.6
[M+H-H2O]+ 189.16433 144.3
[M+HCOO]- 251.16527 169.5
[M+CH3COO]- 265.18092 189.8
[M+Na-2H]- 227.14174 151.0
[M]+ 206.16652 150.7
[M]- 206.16762 150.7
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