CID 7217

Plasticizer 3gh

Structural Information

Molecular Formula
C18H34O6
SMILES
CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC
InChI
InChI=1S/C18H34O6/c1-5-15(6-2)17(19)23-13-11-21-9-10-22-12-14-24-18(20)16(7-3)8-4/h15-16H,5-14H2,1-4H3
InChIKey
JEYLQCXBYFQJRO-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-ethylbutanoyloxy)ethoxy]ethoxy]ethyl 2-ethylbutanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

8687
Patents

346.23553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.24281 189.0
[M+Na]+ 369.22475 190.9
[M-H]- 345.22825 187.4
[M+NH4]+ 364.26935 201.7
[M+K]+ 385.19869 191.4
[M+H-H2O]+ 329.23279 181.9
[M+HCOO]- 391.23373 202.9
[M+CH3COO]- 405.24938 215.0
[M+Na-2H]- 367.21020 185.2
[M]+ 346.23498 199.5
[M]- 346.23608 199.5
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.