CID 99485

Tricyclopentylphosphine oxide

Structural Information

Molecular Formula

C₁₅H₂₇OP

SMILES

C1CCC(C1)P(=O)(C2CCCC2)C3CCCC3

InChI

InChI=1S/C15H27OP/c16-17(13-7-1-2-8-13,14-9-3-4-10-14)15-11-5-6-12-15/h13-15H,1-12H2

InChIKey

NLORAJAXZBEDKS-UHFFFAOYSA-N

Compound name

dicyclopentylphosphorylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 254.17995 Da
Monoisotopic Mass: 3.2
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]+	255.18723	166.6
[M+Na]+	277.16917	167.2
[M-H]-	253.17267	173.2
[M+NH4]+	272.21377	187.9
[M+K]+	293.14311	165.3
[M+H-H2O]+	237.17721	158.2
[M+HCOO]-	299.17815	189.2
[M+CH3COO]-	313.19380	192.5
[M+Na-2H]-	275.15462	160.0
[M]+	254.17940	158.6
[M]-	254.18050	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe