CID 94210

Ethanol, 2-[2-[(2-ethylhexyl)oxy]ethoxy]-

Structural Information

Molecular Formula
C12H26O3
SMILES
CCCCC(CC)COCCOCCO
InChI
InChI=1S/C12H26O3/c1-3-5-6-12(4-2)11-15-10-9-14-8-7-13/h12-13H,3-11H2,1-2H3
InChIKey
OADIZUFHUPTFAG-UHFFFAOYSA-N
Compound name
2-[2-(2-ethylhexoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9074
Patents

218.1882 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.19548 156.6
[M+Na]+ 241.17742 160.6
[M-H]- 217.18092 154.4
[M+NH4]+ 236.22202 174.6
[M+K]+ 257.15136 159.8
[M+H-H2O]+ 201.18546 150.9
[M+HCOO]- 263.18640 176.7
[M+CH3COO]- 277.20205 189.3
[M+Na-2H]- 239.16287 158.7
[M]+ 218.18765 162.0
[M]- 218.18875 162.0
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

patents stripe