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

4
Annotation Hits: 33
References: 967
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]+	135.07642	126.5
[M+Na]+	157.05836	132.6
[M+NH4]+	152.10296	132.1
[M+K]+	173.03230	130.9
[M-H]-	133.06186	124.4
[M+Na-2H]-	155.04381	127.6
[M]+	134.06859	126.0
[M]-	134.06969	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe