CID 165883763

En300-2006094

Structural Information

Molecular Formula
C12H22N2O5
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)C(C(=O)OC)N
InChI
InChI=1S/C12H22N2O5/c1-12(2,3)19-11(16)14-5-6-18-8(7-14)9(13)10(15)17-4/h8-9H,5-7,13H2,1-4H3
InChIKey
NEPOYEVVIYTTRW-UHFFFAOYSA-N
Compound name
tert-butyl 2-(1-amino-2-methoxy-2-oxoethyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.15286 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.16014 163.7
[M+Na]+ 297.14208 167.2
[M-H]- 273.14558 165.3
[M+NH4]+ 292.18668 176.6
[M+K]+ 313.11602 169.2
[M+H-H2O]+ 257.15012 157.0
[M+HCOO]- 319.15106 178.2
[M+CH3COO]- 333.16671 198.9
[M+Na-2H]- 295.12753 164.7
[M]+ 274.15231 163.4
[M]- 274.15341 163.4
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

No patent data available for this compound.