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

435
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

No literature data available for this compound.

Patent stripe

patents stripe