CID 21257164

N-carboxyacetyl-d-phenylalanine

Structural Information

Molecular Formula
C12H13NO5
SMILES
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CC(=O)O
InChI
InChI=1S/C12H13NO5/c14-10(7-11(15)16)13-9(12(17)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey
IHAMOIOWKITHQZ-UHFFFAOYSA-N
Compound name
2-[(2-carboxyacetyl)amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

251.07938 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08666 155.6
[M+Na]+ 274.06860 162.8
[M+NH4]+ 269.11320 159.7
[M+K]+ 290.04254 160.8
[M-H]- 250.07210 153.7
[M+Na-2H]- 272.05405 157.8
[M]+ 251.07883 155.4
[M]- 251.07993 155.4
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