CID 460129

Azaserine

Structural Information

Molecular Formula
C5H7N3O4
SMILES
C([C@@H](C(=O)O)N)OC(=O)C=[N+]=[N-]
InChI
InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)/t3-/m0/s1
InChIKey
MZZGOOYMKKIOOX-VKHMYHEASA-N
Compound name
(2S)-2-amino-3-(2-diazoacetyl)oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

686
References

43801
Patents

173.04366 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.050936 132.1
[M+Na]+ 196.032878 137.5
[M-H]- 172.036384 132.0
[M+NH4]+ 191.077483 150.3
[M+K]+ 212.006818 133.1
[M+H-H2O]+ 156.040920 131.1
[M+HCOO]- 218.041861 157.9
[M+CH3COO]- 232.057511 175.2
[M+Na-2H]- 194.018326 137.6
[M]+ 173.04311142 128.2
[M]- 173.04420858 128.2
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