CID 135765079

Pyridoxal-5-phosphate monomethylhydrazine

Structural Information

Molecular Formula
C9H14N3O5P
SMILES
CC1=NC=C(C(=C1O)/C=N/NC)COP(=O)(O)O
InChI
InChI=1S/C9H14N3O5P/c1-6-9(13)8(4-12-10-2)7(3-11-6)5-17-18(14,15)16/h3-4,10,13H,5H2,1-2H3,(H2,14,15,16)/b12-4+
InChIKey
WXHICBJJGDFXCV-UUILKARUSA-N
Compound name
[5-hydroxy-6-methyl-4-[(E)-(methylhydrazinylidene)methyl]pyridin-3-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0671 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07438 159.3
[M+Na]+ 298.05632 166.4
[M-H]- 274.05982 158.4
[M+NH4]+ 293.10092 173.0
[M+K]+ 314.03026 164.8
[M+H-H2O]+ 258.06436 150.1
[M+HCOO]- 320.06530 186.3
[M+CH3COO]- 334.08095 198.6
[M+Na-2H]- 296.04177 162.6
[M]+ 275.06655 161.7
[M]- 275.06765 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.