CID 3021981

5-ethoxy-2-hexylphenol

Structural Information

Molecular Formula
C14H22O2
SMILES
CCCCCCC1=C(C=C(C=C1)OCC)O
InChI
InChI=1S/C14H22O2/c1-3-5-6-7-8-12-9-10-13(16-4-2)11-14(12)15/h9-11,15H,3-8H2,1-2H3
InChIKey
HTCNWWOBQWBRBH-UHFFFAOYSA-N
Compound name
5-ethoxy-2-hexylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.16199 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 152.8
[M+Na]+ 245.15121 165.1
[M+NH4]+ 240.19581 160.8
[M+K]+ 261.12515 157.6
[M-H]- 221.15471 154.7
[M+Na-2H]- 243.13666 158.4
[M]+ 222.16144 155.1
[M]- 222.16254 155.1
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.