CID 5168640

N-methyl-pyridoxal-5'-phosphate

Structural Information

Molecular Formula
C9H13NO6P
SMILES
CC1=[N+](C=C(C(=C1O)C=O)COP(=O)(O)O)C
InChI
InChI=1S/C9H12NO6P/c1-6-9(12)8(4-11)7(3-10(6)2)5-16-17(13,14)15/h3-4H,5H2,1-2H3,(H2-,11,12,13,14,15)/p+1
InChIKey
CBNMAKRKGWDQHB-UHFFFAOYSA-O
Compound name
(4-formyl-5-hydroxy-1,6-dimethylpyridin-1-ium-3-yl)methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.04803 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05531 154.6
[M+Na]+ 285.03725 163.8
[M-H]- 261.04075 153.3
[M+NH4]+ 280.08185 168.8
[M+K]+ 301.01119 156.4
[M+H-H2O]+ 245.04529 149.6
[M+HCOO]- 307.04623 178.0
[M+CH3COO]- 321.06188 182.1
[M+Na-2H]- 283.02270 159.5
[M]+ 262.04748 157.4
[M]- 262.04858 157.4
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

No patent data available for this compound.