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

78
Patents

259.14197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 160.5
[M+Na]+ 282.13119 166.0
[M+NH4]+ 277.17579 164.1
[M+K]+ 298.10513 164.3
[M-H]- 258.13469 156.4
[M+Na-2H]- 280.11664 160.0
[M]+ 259.14142 159.5
[M]- 259.14252 159.5
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