CID 102437282

1643880-05-0

Structural Information

Molecular Formula
C19H32O3
SMILES
CCCCCCC(C)(C)C1=CC=C(C=C1)OCCOCCO
InChI
InChI=1S/C19H32O3/c1-4-5-6-7-12-19(2,3)17-8-10-18(11-9-17)22-16-15-21-14-13-20/h8-11,20H,4-7,12-16H2,1-3H3
InChIKey
QBJGHRMRNHNIKU-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-methyloctan-2-yl)phenoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

308.23514 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.242416 180.0
[M+Na]+ 331.224358 183.9
[M-H]- 307.227864 180.8
[M+NH4]+ 326.268963 194.4
[M+K]+ 347.198298 180.7
[M+H-H2O]+ 291.232400 172.9
[M+HCOO]- 353.233341 198.7
[M+CH3COO]- 367.248991 206.3
[M+Na-2H]- 329.209806 182.4
[M]+ 308.23459142 185.9
[M]- 308.23568858 185.9
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

No patent data available for this compound.