CID 333461

N-[n-[(1,1-dimethylethoxy)carbonyl]-l-alanyl]-l-alanine

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
2
Annotation Hits

1
References

404
Patents

260.1372 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.144476 159.9
[M+Na]+ 283.126418 163.1
[M-H]- 259.129924 158.5
[M+NH4]+ 278.171023 175.1
[M+K]+ 299.100358 164.6
[M+H-H2O]+ 243.134460 154.5
[M+HCOO]- 305.135401 178.0
[M+CH3COO]- 319.151051 199.4
[M+Na-2H]- 281.111866 159.4
[M]+ 260.13665142 160.6
[M]- 260.13774858 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