CID 441443

Canaline

Structural Information

Molecular Formula

C₄H₁₀N₂O₃

SMILES

C(CON)[C@@H](C(=O)O)N

InChI

InChI=1S/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1

InChIKey

FQPGMQABJNQLLF-VKHMYHEASA-N

Compound name

(2S)-2-amino-4-aminooxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 33
References: 1509
Patents: 134.06914 Da
Monoisotopic Mass: -4.6
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]+	135.076416	126.9
[M+Na]+	157.058358	132.4
[M-H]-	133.061864	124.9
[M+NH4]+	152.102963	146.5
[M+K]+	173.032298	132.7
[M+H-H2O]+	117.066400	121.5
[M+HCOO]-	179.067341	149.4
[M+CH3COO]-	193.082991	174.0
[M+Na-2H]-	155.043806	130.0
[M]+	134.06859142	124.0
[M]-	134.06968858	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe