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

326
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.