CID 445062

N-pyridoxyl-glycine-5-monophosphate

Structural Information

Molecular Formula
C10H15N2O7P
SMILES
CC1=NC=C(C(=C1O)CNCC(=O)O)COP(=O)(O)O
InChI
InChI=1S/C10H15N2O7P/c1-6-10(15)8(3-11-4-9(13)14)7(2-12-6)5-19-20(16,17)18/h2,11,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18)
InChIKey
FEVQWBMNLWUBTF-UHFFFAOYSA-N
Compound name
2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

306.06168 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06896 165.8
[M+Na]+ 329.05090 171.6
[M-H]- 305.05440 161.9
[M+NH4]+ 324.09550 176.7
[M+K]+ 345.02484 170.1
[M+H-H2O]+ 289.05894 156.8
[M+HCOO]- 351.05988 187.7
[M+CH3COO]- 365.07553 198.0
[M+Na-2H]- 327.03635 166.5
[M]+ 306.06113 167.9
[M]- 306.06223 167.9
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