CID 14964868

1,3-diethyl 2-(2-methylpropanamido)propanedioate

Structural Information

Molecular Formula
C11H19NO5
SMILES
CCOC(=O)C(C(=O)OCC)NC(=O)C(C)C
InChI
InChI=1S/C11H19NO5/c1-5-16-10(14)8(11(15)17-6-2)12-9(13)7(3)4/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKey
WWYZLQQYWMHZBS-UHFFFAOYSA-N
Compound name
diethyl 2-(2-methylpropanoylamino)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

245.12633 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 157.0
[M+Na]+ 268.11555 161.1
[M-H]- 244.11905 156.8
[M+NH4]+ 263.16015 173.8
[M+K]+ 284.08949 162.7
[M+H-H2O]+ 228.12359 151.1
[M+HCOO]- 290.12453 177.1
[M+CH3COO]- 304.14018 196.9
[M+Na-2H]- 266.10100 155.7
[M]+ 245.12578 161.1
[M]- 245.12688 161.1
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