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

9
Patents

182.06914 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 136.7
[M+Na]+ 205.05836 145.8
[M-H]- 181.06186 137.2
[M+NH4]+ 200.10296 154.3
[M+K]+ 221.03230 143.2
[M+H-H2O]+ 165.06640 130.6
[M+HCOO]- 227.06734 159.2
[M+CH3COO]- 241.08299 178.9
[M+Na-2H]- 203.04381 142.6
[M]+ 182.06859 136.9
[M]- 182.06969 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe