CID 369330

Na-z-l-2,3-diaminopropionic acid

Structural Information

Molecular Formula
C11H14N2O4
SMILES
C1=CC=C(C=C1)COC(=O)NC(CN)C(=O)O
InChI
InChI=1S/C11H14N2O4/c12-6-9(10(14)15)13-11(16)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15)
InChIKey
FOXRXVSTFGNURG-UHFFFAOYSA-N
Compound name
3-amino-2-(phenylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

606
Patents

238.09535 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 152.8
[M+Na]+ 261.08457 156.7
[M-H]- 237.08807 154.1
[M+NH4]+ 256.12917 168.2
[M+K]+ 277.05851 155.6
[M+H-H2O]+ 221.09261 145.6
[M+HCOO]- 283.09355 174.9
[M+CH3COO]- 297.10920 192.2
[M+Na-2H]- 259.07002 155.2
[M]+ 238.09480 151.2
[M]- 238.09590 151.2
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

No patent data available for this compound.