CID 21257161

D-n-(carboxyacetyl)alanine

Structural Information

Molecular Formula
C6H9NO5
SMILES
CC(C(=O)O)NC(=O)CC(=O)O
InChI
InChI=1S/C6H9NO5/c1-3(6(11)12)7-4(8)2-5(9)10/h3H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)
InChIKey
AZKKNWAHCAZDCU-UHFFFAOYSA-N
Compound name
3-(1-carboxyethylamino)-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

175.04807 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05535 136.3
[M+Na]+ 198.03729 141.9
[M+NH4]+ 193.08189 140.2
[M+K]+ 214.01123 141.6
[M-H]- 174.04079 131.8
[M+Na-2H]- 196.02274 135.7
[M]+ 175.04752 135.0
[M]- 175.04862 135.0
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