CID 4564495

Tert-butyl dimethylphosphonoacetate

Structural Information

Molecular Formula
C8H17O5P
SMILES
CC(C)(C)OC(=O)CP(=O)(OC)OC
InChI
InChI=1S/C8H17O5P/c1-8(2,3)13-7(9)6-14(10,11-4)12-5/h6H2,1-5H3
InChIKey
SAZYDWOWLRDDRQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-dimethoxyphosphorylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

595
Patents

224.08136 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08864 150.3
[M+Na]+ 247.07058 157.5
[M-H]- 223.07408 149.8
[M+NH4]+ 242.11518 169.6
[M+K]+ 263.04452 159.2
[M+H-H2O]+ 207.07862 144.1
[M+HCOO]- 269.07956 176.2
[M+CH3COO]- 283.09521 188.6
[M+Na-2H]- 245.05603 154.1
[M]+ 224.08081 158.3
[M]- 224.08191 158.3
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