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

13
Patents

259.14197 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 160.0
[M+Na]+ 282.13119 164.4
[M-H]- 258.13469 159.9
[M+NH4]+ 277.17579 176.6
[M+K]+ 298.10513 165.8
[M+H-H2O]+ 242.13923 154.7
[M+HCOO]- 304.14017 179.3
[M+CH3COO]- 318.15582 198.6
[M+Na-2H]- 280.11664 160.5
[M]+ 259.14142 164.6
[M]- 259.14252 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