CID 102249143

4-(2,3,4-trimethylpentan-2-yl)phenol

Structural Information

Molecular Formula
C14H22O
SMILES
CC(C)C(C)C(C)(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C14H22O/c1-10(2)11(3)14(4,5)12-6-8-13(15)9-7-12/h6-11,15H,1-5H3
InChIKey
RHIBDXMDFBFPFP-UHFFFAOYSA-N
Compound name
4-(2,3,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 149.4
[M+Na]+ 229.15629 155.2
[M-H]- 205.15979 151.6
[M+NH4]+ 224.20089 168.1
[M+K]+ 245.13023 153.1
[M+H-H2O]+ 189.16433 144.3
[M+HCOO]- 251.16527 167.5
[M+CH3COO]- 265.18092 189.1
[M+Na-2H]- 227.14174 152.1
[M]+ 206.16652 149.4
[M]- 206.16762 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.