CID 11128564

67706-68-7

Structural Information

Molecular Formula
C11H19NO5
SMILES
CCOC(=O)CC(=O)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO5/c1-5-16-9(14)6-8(13)7-12-10(15)17-11(2,3)4/h5-7H2,1-4H3,(H,12,15)
InChIKey
MFRFJFDLZKHOFX-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

245.12633 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 155.9
[M+Na]+ 268.11555 160.9
[M-H]- 244.11905 155.9
[M+NH4]+ 263.16015 173.0
[M+K]+ 284.08949 161.9
[M+H-H2O]+ 228.12359 150.5
[M+HCOO]- 290.12453 176.4
[M+CH3COO]- 304.14018 194.7
[M+Na-2H]- 266.10100 158.0
[M]+ 245.12578 160.7
[M]- 245.12688 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe