CID 99406

Phosphine oxide, cyclohexyldipropyl-

Structural Information

Molecular Formula

C₁₂H₂₅OP

SMILES

CCCP(=O)(CCC)C1CCCCC1

InChI

InChI=1S/C12H25OP/c1-3-10-14(13,11-4-2)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3

InChIKey

MKLYQSMNKSRDRF-UHFFFAOYSA-N

Compound name

dipropylphosphorylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 216.1643 Da
Monoisotopic Mass: 3.0
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]+	217.17158	157.2
[M+Na]+	239.15352	160.4
[M-H]-	215.15702	158.0
[M+NH4]+	234.19812	176.2
[M+K]+	255.12746	158.5
[M+H-H2O]+	199.16156	149.2
[M+HCOO]-	261.16250	180.3
[M+CH3COO]-	275.17815	190.2
[M+Na-2H]-	237.13897	157.4
[M]+	216.16375	155.7
[M]-	216.16485	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe