CID 191034

(2s)-2-amino-5-carbamimidoyloxypentanoic acid

Structural Information

Molecular Formula
C6H13N3O3
SMILES
C(C[C@@H](C(=O)O)N)COC(=N)N
InChI
InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-12-6(8)9/h4H,1-3,7H2,(H3,8,9)(H,10,11)/t4-/m0/s1
InChIKey
WJGYUTHBDPPYCA-BYPYZUCNSA-N
Compound name
(2S)-2-amino-5-carbamimidoyloxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.09569 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.102966 138.7
[M+Na]+ 198.084908 142.7
[M-H]- 174.088414 136.5
[M+NH4]+ 193.129513 156.2
[M+K]+ 214.058848 142.5
[M+H-H2O]+ 158.092950 132.5
[M+HCOO]- 220.093891 160.8
[M+CH3COO]- 234.109541 184.9
[M+Na-2H]- 196.070356 139.8
[M]+ 175.09514142 134.3
[M]- 175.09623858 134.3
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

patents stripe