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
3
Annotation Hits

0
References

8138
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 185.8
[M+Na]+ 369.22475 190.8
[M+NH4]+ 364.26935 204.8
[M+K]+ 385.19869 187.5
[M-H]- 345.22825 181.4
[M+Na-2H]- 367.21020 183.5
[M]+ 346.23498 184.6
[M]- 346.23608 184.6
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