CID 46781372

2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol

Structural Information

Molecular Formula
C19H32O3
SMILES
CCC(C)(CCC(C)C)C1=CC=C(C=C1)OCCOCCO
InChI
InChI=1S/C19H32O3/c1-5-19(4,11-10-16(2)3)17-6-8-18(9-7-17)22-15-14-21-13-12-20/h6-9,16,20H,5,10-15H2,1-4H3
InChIKey
MXEUZASFOXCTSR-UHFFFAOYSA-N
Compound name
2-[2-[4-(3,6-dimethylheptan-3-yl)phenoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

308.23514 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.242416 180.0
[M+Na]+ 331.224358 183.7
[M-H]- 307.227864 181.0
[M+NH4]+ 326.268963 194.4
[M+K]+ 347.198298 181.0
[M+H-H2O]+ 291.232400 173.1
[M+HCOO]- 353.233341 197.8
[M+CH3COO]- 367.248991 207.1
[M+Na-2H]- 329.209806 181.2
[M]+ 308.23459142 185.3
[M]- 308.23568858 185.3
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.