CID 99047

Z-gly-dl-ala-oh

Structural Information

Molecular Formula
C13H16N2O5
SMILES
CC(C(=O)O)NC(=O)CNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C13H16N2O5/c1-9(12(17)18)15-11(16)7-14-13(19)20-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,19)(H,15,16)(H,17,18)
InChIKey
CCIBGDNXMPNUHL-UHFFFAOYSA-N
Compound name
2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

280.10593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11321 163.8
[M+Na]+ 303.09515 170.0
[M+NH4]+ 298.13975 167.6
[M+K]+ 319.06909 167.9
[M-H]- 279.09865 162.6
[M+Na-2H]- 301.08060 166.0
[M]+ 280.10538 163.5
[M]- 280.10648 163.5
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