CID 94543

2-(4-octylphenoxy)ethanol

Structural Information

Molecular Formula
C16H26O2
SMILES
CCCCCCCCC1=CC=C(C=C1)OCCO
InChI
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-14-13-17/h9-12,17H,2-8,13-14H2,1H3
InChIKey
BHNQPLPANNDEGL-UHFFFAOYSA-N
Compound name
2-(4-octylphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11540
Patents

250.19328 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 162.3
[M+Na]+ 273.18250 173.8
[M+NH4]+ 268.22710 169.9
[M+K]+ 289.15644 165.6
[M-H]- 249.18600 164.1
[M+Na-2H]- 271.16795 167.6
[M]+ 250.19273 164.4
[M]- 250.19383 164.4
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