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

5
Patents

175.09569 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10297 138.7
[M+Na]+ 198.08491 142.7
[M-H]- 174.08841 136.5
[M+NH4]+ 193.12951 156.2
[M+K]+ 214.05885 142.5
[M+H-H2O]+ 158.09295 132.5
[M+HCOO]- 220.09389 160.8
[M+CH3COO]- 234.10954 184.9
[M+Na-2H]- 196.07036 139.8
[M]+ 175.09514 134.3
[M]- 175.09624 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