CID 440473

L-mimosine

Structural Information

Molecular Formula
C8H10N2O4
SMILES
C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)/t5-/m0/s1
InChIKey
WZNJWVWKTVETCG-YFKPBYRVSA-N
Compound name
(2S)-2-amino-3-(3-hydroxy-4-oxopyridin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

486
References

40521
Patents

198.06406 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 140.2
[M+Na]+ 221.05328 149.6
[M+NH4]+ 216.09788 145.1
[M+K]+ 237.02722 147.3
[M-H]- 197.05678 138.8
[M+Na-2H]- 219.03873 143.4
[M]+ 198.06351 140.5
[M]- 198.06461 140.5
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