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 153.0
[M+Na]+ 245.15121 159.7
[M-H]- 221.15471 155.0
[M+NH4]+ 240.19581 171.3
[M+K]+ 261.12515 156.8
[M+H-H2O]+ 205.15925 146.9
[M+HCOO]- 267.16019 174.9
[M+CH3COO]- 281.17584 190.1
[M+Na-2H]- 243.13666 156.7
[M]+ 222.16144 156.6
[M]- 222.16254 156.6
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.