CID 160437

Argininic acid

Structural Information

Molecular Formula
C6H13N3O3
SMILES
C(C[C@@H](C(=O)O)O)CN=C(N)N
InChI
InChI=1S/C6H13N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h4,10H,1-3H2,(H,11,12)(H4,7,8,9)/t4-/m0/s1
InChIKey
BMFMQGXDDJALKQ-BYPYZUCNSA-N
Compound name
(2S)-5-(diaminomethylideneamino)-2-hydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

4135
Patents

175.09569 Da
Monoisotopic Mass

-1.7
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

literature stripe

Patent stripe

patents stripe