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
7
Annotation Hits

3279
References

11704
Patents

233.0453 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05258 150.2
[M+Na]+ 256.03452 158.9
[M-H]- 232.03802 148.2
[M+NH4]+ 251.07912 165.7
[M+K]+ 272.00846 157.2
[M+H-H2O]+ 216.04256 142.3
[M+HCOO]- 278.04350 173.8
[M+CH3COO]- 292.05915 184.0
[M+Na-2H]- 254.01997 152.5
[M]+ 233.04475 152.9
[M]- 233.04585 152.9
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