CID 95687

8059-24-3

Structural Information

Molecular Formula

C₈H₁₂NO₅P

SMILES

CC1=C(C(=NC=C1COP(=O)(O)O)C)O

InChI

InChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)

InChIKey

RBCOYOYDYNXAFA-UHFFFAOYSA-N

Compound name

(5-hydroxy-4,6-dimethylpyridin-3-yl)methyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 3263
References: 11702
Patents: 233.0453 Da
Monoisotopic Mass: -0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	234.05258	149.3
[M+Na]+	256.03452	159.2
[M+NH4]+	251.07912	153.8
[M+K]+	272.00846	157.0
[M-H]-	232.03802	146.6
[M+Na-2H]-	254.01997	151.8
[M]+	233.04475	149.5
[M]-	233.04585	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe