CID 51341046

361189-64-2

Structural Information

Molecular Formula
C19H38O9
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C19H38O9/c1-19(2,3)28-18(21)4-6-22-8-10-24-12-14-26-16-17-27-15-13-25-11-9-23-7-5-20/h20H,4-17H2,1-3H3
InChIKey
VGGDPFAYSOSIOK-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

410.2516 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.25888 209.0
[M+Na]+ 433.24082 209.4
[M+NH4]+ 428.28542 211.8
[M+K]+ 449.21476 206.6
[M-H]- 409.24432 199.4
[M+Na-2H]- 431.22627 194.9
[M]+ 410.25105 206.4
[M]- 410.25215 206.4
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