CID 161398

22787-53-7

Structural Information

Molecular Formula
C9H14NO5P
SMILES
CC1=CC(=CC(=O)N1C)OP(=O)(OC)OC
InChI
InChI=1S/C9H14NO5P/c1-7-5-8(6-9(11)10(7)2)15-16(12,13-3)14-4/h5-6H,1-4H3
InChIKey
GKIPUVHVWDXDCH-UHFFFAOYSA-N
Compound name
(1,2-dimethyl-6-oxopyridin-4-yl) dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.06096 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06824 149.6
[M+Na]+ 270.05018 159.6
[M-H]- 246.05368 151.8
[M+NH4]+ 265.09478 166.8
[M+K]+ 286.02412 159.7
[M+H-H2O]+ 230.05822 141.1
[M+HCOO]- 292.05916 177.8
[M+CH3COO]- 306.07481 193.5
[M+Na-2H]- 268.03563 153.3
[M]+ 247.06041 157.9
[M]- 247.06151 157.9
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.