CID 22833375

2-[4-(2-ethylhexyl)phenoxy]ethanol

Structural Information

Molecular Formula
C16H26O2
SMILES
CCCCC(CC)CC1=CC=C(C=C1)OCCO
InChI
InChI=1S/C16H26O2/c1-3-5-6-14(4-2)13-15-7-9-16(10-8-15)18-12-11-17/h7-10,14,17H,3-6,11-13H2,1-2H3
InChIKey
PRAQADPDFMLFFB-UHFFFAOYSA-N
Compound name
2-[4-(2-ethylhexyl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.19328 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 163.4
[M+Na]+ 273.182498 168.0
[M-H]- 249.186004 164.6
[M+NH4]+ 268.227103 180.1
[M+K]+ 289.156438 164.9
[M+H-H2O]+ 233.190540 156.7
[M+HCOO]- 295.191481 183.5
[M+CH3COO]- 309.207131 195.8
[M+Na-2H]- 271.167946 165.3
[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

No literature data available for this compound.

Patent stripe

patents stripe