CID 177798433

Tert-butyl 5,5-dimethyl-2-(2-oxoethyl)morpholine-4-carboxylate

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC1(COC(CN1C(=O)OC(C)(C)C)CC=O)C
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-8-10(6-7-15)17-9-13(14,4)5/h7,10H,6,8-9H2,1-5H3
InChIKey
FEFYRKJJVINXAY-UHFFFAOYSA-N
Compound name
tert-butyl 5,5-dimethyl-2-(2-oxoethyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.16272 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.169996 158.2
[M+Na]+ 280.151938 164.6
[M-H]- 256.155444 160.8
[M+NH4]+ 275.196543 175.0
[M+K]+ 296.125878 165.5
[M+H-H2O]+ 240.159980 153.1
[M+HCOO]- 302.160921 173.8
[M+CH3COO]- 316.176571 194.8
[M+Na-2H]- 278.137386 162.5
[M]+ 257.16217142 160.8
[M]- 257.16326858 160.8
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.