CID 1051

Pyridoxal phosphate

Structural Information

Molecular Formula
C8H10NO6P
SMILES
CC1=NC=C(C(=C1O)C=O)COP(=O)(O)O
InChI
InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKey
NGVDGCNFYWLIFO-UHFFFAOYSA-N
Compound name
(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

7179
References

49069
Patents

247.02457 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.03185 150.7
[M+Na]+ 270.01379 159.4
[M-H]- 246.01729 148.6
[M+NH4]+ 265.05839 165.4
[M+K]+ 285.98773 157.7
[M+H-H2O]+ 230.02183 142.6
[M+HCOO]- 292.02277 174.7
[M+CH3COO]- 306.03842 185.4
[M+Na-2H]- 267.99924 153.3
[M]+ 247.02402 154.1
[M]- 247.02512 154.1
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.