CID 22880

N-methyl-d-aspartic acid

Structural Information

Molecular Formula
C5H9NO4
SMILES
CN[C@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKey
HOKKHZGPKSLGJE-GSVOUGTGSA-N
Compound name
(2R)-2-(methylamino)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

24588
References

64188
Patents

147.05316 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06044 129.9
[M+Na]+ 170.04238 136.3
[M+NH4]+ 165.08698 134.9
[M+K]+ 186.01632 135.1
[M-H]- 146.04588 126.3
[M+Na-2H]- 168.02783 130.4
[M]+ 147.05261 129.1
[M]- 147.05371 129.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe