CID 97663

(2s)-2-amino-3-(hydroxycarbamoyl)propanoic acid

Structural Information

Molecular Formula
C4H8N2O4
SMILES
C([C@@H](C(=O)O)N)C(=O)NO
InChI
InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey
ZBYVTTSIVDYQSO-REOHCLBHSA-N
Compound name
(2S)-2-amino-4-(hydroxyamino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

41
References

204
Patents

148.0484 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05568 129.0
[M+Na]+ 171.03762 134.1
[M-H]- 147.04112 126.2
[M+NH4]+ 166.08222 147.4
[M+K]+ 187.01156 134.4
[M+H-H2O]+ 131.04566 123.7
[M+HCOO]- 193.04660 150.0
[M+CH3COO]- 207.06225 173.9
[M+Na-2H]- 169.02307 131.4
[M]+ 148.04785 125.2
[M]- 148.04895 125.2
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