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 205.2
[M+Na]+ 433.24082 208.8
[M-H]- 409.24432 198.9
[M+NH4]+ 428.28542 208.7
[M+K]+ 449.21476 203.8
[M+H-H2O]+ 393.24886 191.5
[M+HCOO]- 455.24980 218.7
[M+CH3COO]- 469.26545 220.1
[M+Na-2H]- 431.22627 193.6
[M]+ 410.25105 207.7
[M]- 410.25215 207.7
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