CID 123895

Chebi:43088

Structural Information

Molecular Formula
C6H14N4O3
SMILES
C(C[C@@H](C(=O)O)N)CN=C(N)NO
InChI
InChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
InChIKey
FQWRAVYMZULPNK-BYPYZUCNSA-N
Compound name
(2S)-2-amino-5-[[amino-(hydroxyamino)methylidene]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

182
References

2073
Patents

190.1066 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11388 141.4
[M+Na]+ 213.09582 144.5
[M-H]- 189.09932 139.2
[M+NH4]+ 208.14042 157.9
[M+K]+ 229.06976 144.6
[M+H-H2O]+ 173.10386 134.5
[M+HCOO]- 235.10480 164.4
[M+CH3COO]- 249.12045 189.8
[M+Na-2H]- 211.08127 142.7
[M]+ 190.10605 136.0
[M]- 190.10715 136.0
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