CID 21685

2,6-di-sec-butylphenol

Structural Information

Molecular Formula
C14H22O
SMILES
CCC(C)C1=C(C(=CC=C1)C(C)CC)O
InChI
InChI=1S/C14H22O/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11,15H,5-6H2,1-4H3
InChIKey
FHTGJZOULSYEOB-UHFFFAOYSA-N
Compound name
2,6-di(butan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

3019
Patents

206.16707 Da
Monoisotopic Mass

4.4
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