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

8755
Patents

346.23553 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.242806 189.0
[M+Na]+ 369.224748 190.9
[M-H]- 345.228254 187.4
[M+NH4]+ 364.269353 201.7
[M+K]+ 385.198688 191.4
[M+H-H2O]+ 329.232790 181.9
[M+HCOO]- 391.233731 202.9
[M+CH3COO]- 405.249381 215.0
[M+Na-2H]- 367.210196 185.2
[M]+ 346.23498142 199.5
[M]- 346.23607858 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

literature stripe

Patent stripe

patents stripe