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
5
Annotation Hits

15
References

5804
Patents

175.09569 Da
Monoisotopic Mass

-1.7
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

literature stripe

Patent stripe

patents stripe