CID 42615250

(2s,3s)-hydroxyarginine

Structural Information

Molecular Formula
C6H14N4O3
SMILES
C(CN=C(N)N)[C@@H]([C@@H](C(=O)O)N)O
InChI
InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1
InChIKey
VIDUVSPOWYVZIC-IMJSIDKUSA-N
Compound name
(2S,3S)-2-amino-5-(diaminomethylideneamino)-3-hydroxypentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

17
Patents

190.1066 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11388 142.4
[M+Na]+ 213.09582 145.3
[M-H]- 189.09932 139.7
[M+NH4]+ 208.14042 158.5
[M+K]+ 229.06976 145.6
[M+H-H2O]+ 173.10386 135.6
[M+HCOO]- 235.10480 163.8
[M+CH3COO]- 249.12045 191.1
[M+Na-2H]- 211.08127 141.3
[M]+ 190.10605 135.5
[M]- 190.10715 135.5
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