CID 103841

53814-86-1

Structural Information

Molecular Formula
C16H32O6
SMILES
CCCCC(CC)C(=O)OCCOCCOCCOCCO
InChI
InChI=1S/C16H32O6/c1-3-5-6-15(4-2)16(18)22-14-13-21-12-11-20-10-9-19-8-7-17/h15,17H,3-14H2,1-2H3
InChIKey
KMFYCMCMPSNIJX-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

320.21988 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.22716 181.0
[M+Na]+ 343.20910 183.2
[M-H]- 319.21260 178.0
[M+NH4]+ 338.25370 194.5
[M+K]+ 359.18304 182.9
[M+H-H2O]+ 303.21714 173.9
[M+HCOO]- 365.21808 199.6
[M+CH3COO]- 379.23373 206.4
[M+Na-2H]- 341.19455 180.0
[M]+ 320.21933 190.8
[M]- 320.22043 190.8
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