CID 18327116

9063-89-2

Structural Information

Molecular Formula
C16H26O2
SMILES
CCCCCCCCC1=CC=CC=C1OCCO
InChI
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)18-14-13-17/h8-9,11-12,17H,2-7,10,13-14H2,1H3
InChIKey
GLDUZMNCEGHSBP-UHFFFAOYSA-N
Compound name
2-(2-octylphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

9678
Patents

250.19328 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 162.8
[M+Na]+ 273.182498 167.6
[M-H]- 249.186004 163.9
[M+NH4]+ 268.227103 179.5
[M+K]+ 289.156438 164.1
[M+H-H2O]+ 233.190540 156.0
[M+HCOO]- 295.191481 183.9
[M+CH3COO]- 309.207131 195.0
[M+Na-2H]- 271.167946 166.0
[M]+ 250.19273142 166.6
[M]- 250.19382858 166.6
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