CID 72785249

66643-80-9

Structural Information

Molecular Formula
C12H21NO5
SMILES
CCOC(=O)CC(=O)C(C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO5/c1-6-17-10(15)7-9(14)8(2)13-11(16)18-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,16)
InChIKey
UXXDARYIURDZSU-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

259.14197 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.149246 160.0
[M+Na]+ 282.131188 164.4
[M-H]- 258.134694 159.9
[M+NH4]+ 277.175793 176.6
[M+K]+ 298.105128 165.8
[M+H-H2O]+ 242.139230 154.7
[M+HCOO]- 304.140171 179.3
[M+CH3COO]- 318.155821 198.6
[M+Na-2H]- 280.116636 160.5
[M]+ 259.14142142 164.6
[M]- 259.14251858 164.6
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