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: 9565
Patents: 176.09094 Da
Monoisotopic Mass: -4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe