CID 10061105

69619-21-2

Structural Information

Molecular Formula
C12H21NO5
SMILES
CCOC(=O)CC(=O)CCNC(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO5/c1-5-17-10(15)8-9(14)6-7-13-11(16)18-12(2,3)4/h5-8H2,1-4H3,(H,13,16)
InChIKey
CUEBOSNRGWOEBT-UHFFFAOYSA-N
Compound name
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

259.14197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.149246 160.5
[M+Na]+ 282.131188 165.1
[M-H]- 258.134694 160.3
[M+NH4]+ 277.175793 177.1
[M+K]+ 298.105128 166.0
[M+H-H2O]+ 242.139230 155.0
[M+HCOO]- 304.140171 180.8
[M+CH3COO]- 318.155821 197.6
[M+Na-2H]- 280.116636 162.2
[M]+ 259.14142142 165.7
[M]- 259.14251858 165.7
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