CID 135473061

Pyridoxaloxime

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

CC1=NC=C(C(=C1O)/C=N/O)CO

InChI

InChI=1S/C8H10N2O3/c1-5-8(12)7(3-10-13)6(4-11)2-9-5/h2-3,11-13H,4H2,1H3/b10-3+

InChIKey

QXKIIRAOFHLZMD-XCVCLJGOSA-N

Compound name

4-[(E)-hydroxyiminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 1
Patents: 182.06914 Da
Monoisotopic Mass: -0.3
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]+	183.07642	137.4
[M+Na]+	205.05836	148.7
[M+NH4]+	200.10296	143.7
[M+K]+	221.03230	144.2
[M-H]-	181.06186	137.5
[M+Na-2H]-	203.04381	142.2
[M]+	182.06859	138.7
[M]-	182.06969	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe