CID 4643321

Di-tert-butylcyclohexylphosphine

Structural Information

Molecular Formula

C₁₄H₂₉P

SMILES

CC(C)(C)P(C1CCCCC1)C(C)(C)C

InChI

InChI=1S/C14H29P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h12H,7-11H2,1-6H3

InChIKey

HFFHNJKBAYQARL-UHFFFAOYSA-N

Compound name

ditert-butyl(cyclohexyl)phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 319
Patents: 228.20068 Da
Monoisotopic Mass: 3.7
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]+	229.20796	163.5
[M+Na]+	251.18990	166.1
[M-H]-	227.19340	164.6
[M+NH4]+	246.23450	182.4
[M+K]+	267.16384	164.9
[M+H-H2O]+	211.19794	156.2
[M+HCOO]-	273.19888	183.1
[M+CH3COO]-	287.21453	195.0
[M+Na-2H]-	249.17535	162.5
[M]+	228.20013	160.8
[M]-	228.20123	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe