CID 40030

Brn 5328339

Structural Information

Molecular Formula

C₇H₁₃O₃P

SMILES

CC(C)C12COP(OC1)OC2

InChI

InChI=1S/C7H13O3P/c1-6(2)7-3-8-11(9-4-7)10-5-7/h6H,3-5H2,1-2H3

InChIKey

JKKXVCKZMHGQLJ-UHFFFAOYSA-N

Compound name

4-propan-2-yl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 176.06023 Da
Monoisotopic Mass: 1.1
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]+	177.06751	138.5
[M+Na]+	199.04945	148.2
[M+NH4]+	194.09405	150.0
[M+K]+	215.02339	141.7
[M-H]-	175.05295	139.9
[M+Na-2H]-	197.03490	136.0
[M]+	176.05968	140.3
[M]-	176.06078	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe