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: 26
Patents: 410.2516 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	411.258876	205.2
[M+Na]+	433.240818	208.8
[M-H]-	409.244324	198.9
[M+NH4]+	428.285423	208.7
[M+K]+	449.214758	203.8
[M+H-H2O]+	393.248860	191.5
[M+HCOO]-	455.249801	218.7
[M+CH3COO]-	469.265451	220.1
[M+Na-2H]-	431.226266	193.6
[M]+	410.25105142	207.7
[M]-	410.25214858	207.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe