CID 24775

2315-61-9

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

1212
Patents

294.21948 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22676 174.2
[M+Na]+ 317.20870 184.1
[M+NH4]+ 312.25330 180.4
[M+K]+ 333.18264 178.5
[M-H]- 293.21220 174.0
[M+Na-2H]- 315.19415 178.3
[M]+ 294.21893 175.6
[M]- 294.22003 175.6
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