CID 439202

L-canavanine

Structural Information

Molecular Formula
C5H12N4O3
SMILES
C(CON=C(N)N)[C@@H](C(=O)O)N
InChI
InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1
InChIKey
FSBIGDSBMBYOPN-VKHMYHEASA-N
Compound name
(2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

857
References

9252
Patents

176.09094 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09822 136.5
[M+Na]+ 199.08016 140.4
[M-H]- 175.08366 135.3
[M+NH4]+ 194.12476 154.0
[M+K]+ 215.05410 141.2
[M+H-H2O]+ 159.08820 129.6
[M+HCOO]- 221.08914 160.7
[M+CH3COO]- 235.10479 189.2
[M+Na-2H]- 197.06561 137.9
[M]+ 176.09039 131.8
[M]- 176.09149 131.8
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

No patent data available for this compound.