CID 39891

4-isopropylbicyclophosphate

Structural Information

Molecular Formula

C₇H₁₃O₄P

SMILES

CC(C)C12COP(=O)(OC1)OC2

InChI

InChI=1S/C7H13O4P/c1-6(2)7-3-9-12(8,10-4-7)11-5-7/h6H,3-5H2,1-2H3

InChIKey

CIEZMYRJRCLYNF-UHFFFAOYSA-N

Compound name

4-propan-2-yl-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 11
Patents: 192.05515 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]+	193.06243	142.0
[M+Na]+	215.04437	151.2
[M+NH4]+	210.08897	154.0
[M+K]+	231.01831	143.5
[M-H]-	191.04787	142.6
[M+Na-2H]-	213.02982	140.4
[M]+	192.05460	143.7
[M]-	192.05570	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe