CID 3058291

4-ethyl-2-isopropylphenol

Structural Information

Molecular Formula
C11H16O
SMILES
CCC1=CC(=C(C=C1)O)C(C)C
InChI
InChI=1S/C11H16O/c1-4-9-5-6-11(12)10(7-9)8(2)3/h5-8,12H,4H2,1-3H3
InChIKey
HFXZXGVECOWQGS-UHFFFAOYSA-N
Compound name
4-ethyl-2-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

164.12012 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 135.8
[M+Na]+ 187.10934 143.6
[M-H]- 163.11284 138.5
[M+NH4]+ 182.15394 156.4
[M+K]+ 203.08328 141.4
[M+H-H2O]+ 147.11738 130.7
[M+HCOO]- 209.11832 157.5
[M+CH3COO]- 223.13397 179.9
[M+Na-2H]- 185.09479 139.9
[M]+ 164.11957 136.1
[M]- 164.12067 136.1
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