CID 139036295

Nham

Structural Information

Molecular Formula
C7H17N4O3
SMILES
C[N+](=C(N)NO)CCC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H16N4O3/c1-11(7(9)10-14)4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H4,9,10,12,13,14)/p+1/t5-/m0/s1
InChIKey
RZASAXUUSBSHRF-YFKPBYRVSA-O
Compound name
[(4S)-4-amino-4-carboxybutyl]-[amino-(hydroxyamino)methylidene]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.13007 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.13735 143.4
[M+Na]+ 228.11929 145.9
[M-H]- 204.12279 141.4
[M+NH4]+ 223.16389 159.1
[M+K]+ 244.09323 140.8
[M+H-H2O]+ 188.12733 139.5
[M+HCOO]- 250.12827 165.0
[M+CH3COO]- 264.14392 185.7
[M+Na-2H]- 226.10474 145.7
[M]+ 205.12952 136.5
[M]- 205.13062 136.5
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.