CID 198275

Pyridoxamine 5-thiophosphate

Structural Information

Molecular Formula
C8H13N2O4PS
SMILES
CC1=NC=C(C(=C1O)CN)CSP(=O)(O)O
InChI
InChI=1S/C8H13N2O4PS/c1-5-8(11)7(2-9)6(3-10-5)4-16-15(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
InChIKey
VGHFYSJDLMQCRP-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

264.03336 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04064 156.3
[M+Na]+ 287.02258 164.3
[M+NH4]+ 282.06718 160.9
[M+K]+ 302.99652 160.3
[M-H]- 263.02608 154.2
[M+Na-2H]- 285.00803 157.7
[M]+ 264.03281 156.8
[M]- 264.03391 156.8
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.