CID 82158

2,4,6-triisopropylphenol

Structural Information

Molecular Formula
C15H24O
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)O)C(C)C
InChI
InChI=1S/C15H24O/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11,16H,1-6H3
InChIKey
HVFKKINZIWVNQG-UHFFFAOYSA-N
Compound name
2,4,6-tri(propan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

764
Patents

220.18271 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.8
[M+Na]+ 243.17193 159.4
[M-H]- 219.17543 155.4
[M+NH4]+ 238.21653 171.4
[M+K]+ 259.14587 157.3
[M+H-H2O]+ 203.17997 147.6
[M+HCOO]- 265.18091 171.2
[M+CH3COO]- 279.19656 195.0
[M+Na-2H]- 241.15738 151.7
[M]+ 220.18216 153.8
[M]- 220.18326 153.8
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