CID 25049757

171483-23-1

Structural Information

Molecular Formula
C6H9N3O3
SMILES
C1=C(NC(=O)N1)C[C@@H](C(=O)O)N
InChI
InChI=1S/C6H9N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)(H2,8,9,12)/t4-/m0/s1
InChIKey
KXHSJJRXZAKKRP-BYPYZUCNSA-N
Compound name
(2S)-2-amino-3-(2-oxo-1,3-dihydroimidazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1249
Patents

171.06439 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07167 135.0
[M+Na]+ 194.05361 142.0
[M+NH4]+ 189.09821 139.3
[M+K]+ 210.02755 142.3
[M-H]- 170.05711 131.7
[M+Na-2H]- 192.03906 136.3
[M]+ 171.06384 134.2
[M]- 171.06494 134.2
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