CID 200241

2-ethylhexylphenol

Structural Information

Molecular Formula
C14H22O
SMILES
CCCCC(CC)CC1=CC=CC=C1O
InChI
InChI=1S/C14H22O/c1-3-5-8-12(4-2)11-13-9-6-7-10-14(13)15/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3
InChIKey
RRKBRXPIJHVKIC-UHFFFAOYSA-N
Compound name
2-(2-ethylhexyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1692
Patents

206.16707 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 150.7
[M+Na]+ 229.15629 156.3
[M-H]- 205.15979 152.4
[M+NH4]+ 224.20089 169.3
[M+K]+ 245.13023 153.3
[M+H-H2O]+ 189.16433 144.8
[M+HCOO]- 251.16527 171.4
[M+CH3COO]- 265.18092 187.8
[M+Na-2H]- 227.14174 153.8
[M]+ 206.16652 151.8
[M]- 206.16762 151.8
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

patents stripe