CID 69731936

Pyridoxine serinate

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CC1=NC=C(C(=C1O)CN[C@@H](CO)C(=O)O)CO
InChI
InChI=1S/C11H16N2O5/c1-6-10(16)8(7(4-14)2-12-6)3-13-9(5-15)11(17)18/h2,9,13-16H,3-5H2,1H3,(H,17,18)/t9-/m0/s1
InChIKey
DUJPDBHMHIVXOJ-VIFPVBQESA-N
Compound name
(2S)-3-hydroxy-2-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

256.10593 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 157.4
[M+Na]+ 279.09515 165.2
[M+NH4]+ 274.13975 161.0
[M+K]+ 295.06909 163.5
[M-H]- 255.09865 154.9
[M+Na-2H]- 277.08060 158.5
[M]+ 256.10538 157.1
[M]- 256.10648 157.1
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

patents stripe