CID 15000282

Tert-butyl 3-oxomorpholine-4-carboxylate

Structural Information

Molecular Formula
C9H15NO4
SMILES
CC(C)(C)OC(=O)N1CCOCC1=O
InChI
InChI=1S/C9H15NO4/c1-9(2,3)14-8(12)10-4-5-13-6-7(10)11/h4-6H2,1-3H3
InChIKey
HJYNLENYMULSAS-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxomorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

201.10011 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.107386 142.7
[M+Na]+ 224.089328 148.9
[M-H]- 200.092834 145.2
[M+NH4]+ 219.133933 159.3
[M+K]+ 240.063268 150.3
[M+H-H2O]+ 184.097370 136.8
[M+HCOO]- 246.098311 159.5
[M+CH3COO]- 260.113961 181.9
[M+Na-2H]- 222.074776 148.1
[M]+ 201.09956142 143.0
[M]- 201.10065858 143.0
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