CID 24775

2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol

Structural Information

Molecular Formula
C18H30O3
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCO
InChI
InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3
InChIKey
LBCZOTMMGHGTPH-UHFFFAOYSA-N
Compound name
2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

847
References

31995
Patents

294.21948 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.226756 175.1
[M+Na]+ 317.208698 179.9
[M-H]- 293.212204 176.6
[M+NH4]+ 312.253303 190.3
[M+K]+ 333.182638 177.6
[M+H-H2O]+ 277.216740 169.0
[M+HCOO]- 339.217681 192.7
[M+CH3COO]- 353.233331 203.2
[M+Na-2H]- 315.194146 179.0
[M]+ 294.21893142 180.1
[M]- 294.22002858 180.1
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