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

49385
Patents

247.02457 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.031846 150.7
[M+Na]+ 270.013788 159.4
[M-H]- 246.017294 148.6
[M+NH4]+ 265.058393 165.4
[M+K]+ 285.987728 157.7
[M+H-H2O]+ 230.021830 142.6
[M+HCOO]- 292.022771 174.7
[M+CH3COO]- 306.038421 185.4
[M+Na-2H]- 267.999236 153.3
[M]+ 247.02402142 154.1
[M]- 247.02511858 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

literature stripe

Patent stripe

patents stripe