CID 333461

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid

Structural Information

Molecular Formula
C11H20N2O5
SMILES
CC(C(=O)NC(C)C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H20N2O5/c1-6(8(14)12-7(2)9(15)16)13-10(17)18-11(3,4)5/h6-7H,1-5H3,(H,12,14)(H,13,17)(H,15,16)
InChIKey
BZNDDHWTEVCBAD-UHFFFAOYSA-N
Compound name
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

260.1372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14448 159.9
[M+Na]+ 283.12642 163.1
[M-H]- 259.12992 158.5
[M+NH4]+ 278.17102 175.1
[M+K]+ 299.10036 164.6
[M+H-H2O]+ 243.13446 154.5
[M+HCOO]- 305.13540 178.0
[M+CH3COO]- 319.15105 199.4
[M+Na-2H]- 281.11187 159.4
[M]+ 260.13665 160.6
[M]- 260.13775 160.6
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