CID 161399

22787-59-3

Structural Information

Molecular Formula
C12H20NO5P
SMILES
CCN1C(=CC(=CC1=O)OP(=O)(OCC)OCC)C
InChI
InChI=1S/C12H20NO5P/c1-5-13-10(4)8-11(9-12(13)14)18-19(15,16-6-2)17-7-3/h8-9H,5-7H2,1-4H3
InChIKey
AYXQWRXUZXCDEW-UHFFFAOYSA-N
Compound name
diethyl (1-ethyl-2-methyl-6-oxopyridin-4-yl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1079 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11518 164.1
[M+Na]+ 312.09712 172.8
[M-H]- 288.10062 165.7
[M+NH4]+ 307.14172 179.5
[M+K]+ 328.07106 172.1
[M+H-H2O]+ 272.10516 154.9
[M+HCOO]- 334.10610 191.2
[M+CH3COO]- 348.12175 202.6
[M+Na-2H]- 310.08257 166.1
[M]+ 289.10735 173.4
[M]- 289.10845 173.4
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.