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]+ 309.24242 180.0
[M+Na]+ 331.22436 183.7
[M-H]- 307.22786 181.0
[M+NH4]+ 326.26896 194.4
[M+K]+ 347.19830 181.0
[M+H-H2O]+ 291.23240 173.1
[M+HCOO]- 353.23334 197.8
[M+CH3COO]- 367.24899 207.1
[M+Na-2H]- 329.20981 181.2
[M]+ 308.23459 185.3
[M]- 308.23569 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.