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	134.1
[M+Na]+	185.03381	140.3
[M-H]-	161.03731	132.4
[M+NH4]+	180.07841	157.9
[M+K]+	201.00775	143.4
[M+H-H2O]+	145.04185	127.6
[M+HCOO]-	207.04279	149.9
[M+CH3COO]-	221.05844	182.0
[M+Na-2H]-	183.01926	145.9
[M]+	162.04404	139.6
[M]-	162.04514	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe