CID 512107

72304-80-4

Structural Information

Molecular Formula

C₆H₁₃O₅P

SMILES

CC(C)OC(=O)P(=O)(OC)OC

InChI

InChI=1S/C6H13O5P/c1-5(2)11-6(7)12(8,9-3)10-4/h5H,1-4H3

InChIKey

TTYOCFPPDNHPRQ-UHFFFAOYSA-N

Compound name

propan-2-yl dimethoxyphosphorylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 196.05006 Da
Monoisotopic Mass: 0.5
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]+	197.05734	140.5
[M+Na]+	219.03928	147.8
[M-H]-	195.04278	140.1
[M+NH4]+	214.08388	160.6
[M+K]+	235.01322	150.0
[M+H-H2O]+	179.04732	134.0
[M+HCOO]-	241.04826	167.7
[M+CH3COO]-	255.06391	183.6
[M+Na-2H]-	217.02473	142.9
[M]+	196.04951	147.7
[M]-	196.05061	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe