CID 440005

2149-70-4

Structural Information

Molecular Formula
C6H13N5O4
SMILES
C(C[C@@H](C(=O)O)N)CN=C(N)N[N+](=O)[O-]
InChI
InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1
InChIKey
MRAUNPAHJZDYCK-BYPYZUCNSA-N
Compound name
(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4288
References

7014
Patents

219.09676 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.104036 141.3
[M+Na]+ 242.085978 143.8
[M-H]- 218.089484 140.3
[M+NH4]+ 237.130583 156.4
[M+K]+ 258.059918 140.4
[M+H-H2O]+ 202.094020 138.7
[M+HCOO]- 264.094961 166.8
[M+CH3COO]- 278.110611 189.9
[M+Na-2H]- 240.071426 145.0
[M]+ 219.09621142 135.1
[M]- 219.09730858 135.1
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