CID 10493865

Tert-butyl (2-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)ethyl)carbamate

Structural Information

Molecular Formula
C13H28N2O5
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCN
InChI
InChI=1S/C13H28N2O5/c1-13(2,3)20-12(16)15-5-7-18-9-11-19-10-8-17-6-4-14/h4-11,14H2,1-3H3,(H,15,16)
InChIKey
CUPBLDPRUBNAIE-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

472
Patents

292.19983 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.20711 171.1
[M+Na]+ 315.18905 174.0
[M-H]- 291.19255 169.7
[M+NH4]+ 310.23365 185.8
[M+K]+ 331.16299 174.5
[M+H-H2O]+ 275.19709 164.2
[M+HCOO]- 337.19803 192.9
[M+CH3COO]- 351.21368 205.9
[M+Na-2H]- 313.17450 173.8
[M]+ 292.19928 177.5
[M]- 292.20038 177.5
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