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]+ 207.174346 149.4
[M+Na]+ 229.156288 155.2
[M-H]- 205.159794 151.6
[M+NH4]+ 224.200893 168.1
[M+K]+ 245.130228 153.1
[M+H-H2O]+ 189.164330 144.3
[M+HCOO]- 251.165271 167.5
[M+CH3COO]- 265.180921 189.1
[M+Na-2H]- 227.141736 152.1
[M]+ 206.16652142 149.4
[M]- 206.16761858 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.