CID 10968359

Tert-butyl n-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate

Structural Information

Molecular Formula
C13H27NO6
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCO
InChI
InChI=1S/C13H27NO6/c1-13(2,3)20-12(16)14-4-6-17-8-10-19-11-9-18-7-5-15/h15H,4-11H2,1-3H3,(H,14,16)
InChIKey
XKKDQIAPTPFIGW-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

293.18384 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19112 170.5
[M+Na]+ 316.17306 173.7
[M-H]- 292.17656 168.2
[M+NH4]+ 311.21766 185.0
[M+K]+ 332.14700 174.2
[M+H-H2O]+ 276.18110 164.1
[M+HCOO]- 338.18204 190.6
[M+CH3COO]- 352.19769 200.9
[M+Na-2H]- 314.15851 173.6
[M]+ 293.18329 178.3
[M]- 293.18439 178.3
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