CID 70990574

Tert-butyl 2-acetylmorpholine-4-carboxylate

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(=O)C1CN(CCO1)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO4/c1-8(13)9-7-12(5-6-15-9)10(14)16-11(2,3)4/h9H,5-7H2,1-4H3
InChIKey
LJUFWUIUVLJYDF-UHFFFAOYSA-N
Compound name
tert-butyl 2-acetylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

229.13141 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.138686 151.4
[M+Na]+ 252.120628 156.5
[M-H]- 228.124134 153.7
[M+NH4]+ 247.165233 166.9
[M+K]+ 268.094568 158.0
[M+H-H2O]+ 212.128670 145.3
[M+HCOO]- 274.129611 166.6
[M+CH3COO]- 288.145261 188.8
[M+Na-2H]- 250.106076 154.6
[M]+ 229.13086142 151.8
[M]- 229.13195858 151.8
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

patents stripe