CID 11746707

Methyl 2-acetamido-2-(dimethoxyphosphoryl)acetate

Structural Information

Molecular Formula
C7H14NO6P
SMILES
CC(=O)NC(C(=O)OC)P(=O)(OC)OC
InChI
InChI=1S/C7H14NO6P/c1-5(9)8-6(7(10)12-2)15(11,13-3)14-4/h6H,1-4H3,(H,8,9)
InChIKey
MXNIODZSMNMILW-UHFFFAOYSA-N
Compound name
methyl 2-acetamido-2-dimethoxyphosphorylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

239.05588 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06316 149.4
[M+Na]+ 262.04510 155.3
[M-H]- 238.04860 148.7
[M+NH4]+ 257.08970 167.2
[M+K]+ 278.01904 157.7
[M+H-H2O]+ 222.05314 142.1
[M+HCOO]- 284.05408 176.6
[M+CH3COO]- 298.06973 193.0
[M+Na-2H]- 260.03055 150.7
[M]+ 239.05533 156.0
[M]- 239.05643 156.0
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