CID 86182240

Tert-butyl2-(dimethylphosphoryl)acetate

Structural Information

Molecular Formula

C₈H₁₇O₃P

SMILES

CC(C)(C)OC(=O)CP(=O)(C)C

InChI

InChI=1S/C8H17O3P/c1-8(2,3)11-7(9)6-12(4,5)10/h6H2,1-5H3

InChIKey

PMGNCMBWWUWWQO-UHFFFAOYSA-N

Compound name

tert-butyl 2-dimethylphosphorylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 192.09154 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.09882	145.2
[M+Na]+	215.08076	152.7
[M-H]-	191.08426	144.8
[M+NH4]+	210.12536	166.0
[M+K]+	231.05470	153.2
[M+H-H2O]+	175.08880	139.5
[M+HCOO]-	237.08974	170.7
[M+CH3COO]-	251.10539	184.4
[M+Na-2H]-	213.06621	148.5
[M]+	192.09099	150.3
[M]-	192.09209	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe