CID 446124

Nor-noha

Structural Information

Molecular Formula
C5H12N4O3
SMILES
C(CN=C(N)NO)[C@@H](C(=O)O)N
InChI
InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1
InChIKey
KOBHCUDVWOTEKO-VKHMYHEASA-N
Compound name
(2S)-2-amino-4-[[amino-(hydroxyamino)methylidene]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

686
Patents

176.09094 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09822 137.0
[M+Na]+ 199.08016 140.6
[M-H]- 175.08366 134.9
[M+NH4]+ 194.12476 154.1
[M+K]+ 215.05410 140.9
[M+H-H2O]+ 159.08820 130.3
[M+HCOO]- 221.08914 160.3
[M+CH3COO]- 235.10479 186.8
[M+Na-2H]- 197.06561 138.8
[M]+ 176.09039 131.3
[M]- 176.09149 131.3
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