CID 3058292

Phenol, 2,6-diisopropyl-4-ethyl-

Structural Information

Molecular Formula
C14H22O
SMILES
CCC1=CC(=C(C(=C1)C(C)C)O)C(C)C
InChI
InChI=1S/C14H22O/c1-6-11-7-12(9(2)3)14(15)13(8-11)10(4)5/h7-10,15H,6H2,1-5H3
InChIKey
YRCCZBQVHILNDN-UHFFFAOYSA-N
Compound name
4-ethyl-2,6-di(propan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

488
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 148.6
[M+Na]+ 229.15629 155.9
[M-H]- 205.15979 151.3
[M+NH4]+ 224.20089 167.9
[M+K]+ 245.13023 153.5
[M+H-H2O]+ 189.16433 143.4
[M+HCOO]- 251.16527 168.3
[M+CH3COO]- 265.18092 191.1
[M+Na-2H]- 227.14174 149.3
[M]+ 206.16652 149.9
[M]- 206.16762 149.9
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