CID 3051643

Brn 2238181

Structural Information

Molecular Formula

C₆H₁₁O₃P

SMILES

CC1C2(COP(O1)OC2)C

InChI

InChI=1S/C6H11O3P/c1-5-6(2)3-7-10(9-5)8-4-6/h5H,3-4H2,1-2H3

InChIKey

MLGPPOIXKRPXDY-UHFFFAOYSA-N

Compound name

3,4-dimethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 162.04459 Da
Monoisotopic Mass: 0.7
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]+	163.05187	133.0
[M+Na]+	185.03381	143.7
[M+NH4]+	180.07841	144.9
[M+K]+	201.00775	136.9
[M-H]-	161.03731	134.8
[M+Na-2H]-	183.01926	131.0
[M]+	162.04404	135.2
[M]-	162.04514	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe