CID 211185

Mc 2820

Structural Information

Molecular Formula
C11H16NO5P
SMILES
CC1=CC(=CC(=O)N1CC=C)OP(=O)(OC)OC
InChI
InChI=1S/C11H16NO5P/c1-5-6-12-9(2)7-10(8-11(12)13)17-18(14,15-3)16-4/h5,7-8H,1,6H2,2-4H3
InChIKey
GHAOPKQTSBILRD-UHFFFAOYSA-N
Compound name
dimethyl (2-methyl-6-oxo-1-prop-2-enylpyridin-4-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0766 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08388 157.5
[M+Na]+ 296.06582 166.9
[M-H]- 272.06932 159.3
[M+NH4]+ 291.11042 173.5
[M+K]+ 312.03976 165.9
[M+H-H2O]+ 256.07386 148.6
[M+HCOO]- 318.07480 185.2
[M+CH3COO]- 332.09045 198.6
[M+Na-2H]- 294.05127 160.1
[M]+ 273.07605 165.8
[M]- 273.07715 165.8
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

No patent data available for this compound.