CID 19420463

160687-42-3

Structural Information

Molecular Formula
C13H27N3O3
SMILES
CC(C)(C)OC(=O)NCCNCCN1CCOCC1
InChI
InChI=1S/C13H27N3O3/c1-13(2,3)19-12(17)15-5-4-14-6-7-16-8-10-18-11-9-16/h14H,4-11H2,1-3H3,(H,15,17)
InChIKey
XGLKIMLAQNQQLZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

273.20523 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21251 168.4
[M+Na]+ 296.19445 169.8
[M-H]- 272.19795 169.5
[M+NH4]+ 291.23905 181.1
[M+K]+ 312.16839 170.2
[M+H-H2O]+ 256.20249 160.4
[M+HCOO]- 318.20343 185.4
[M+CH3COO]- 332.21908 201.7
[M+Na-2H]- 294.17990 172.8
[M]+ 273.20468 167.3
[M]- 273.20578 167.3
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