CID 4643319

Tert-butyldicyclohexylphosphine

Structural Information

Molecular Formula

C₁₆H₃₁P

SMILES

CC(C)(C)P(C1CCCCC1)C2CCCCC2

InChI

InChI=1S/C16H31P/c1-16(2,3)17(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h14-15H,4-13H2,1-3H3

InChIKey

MQYZHXLHUNLBQH-UHFFFAOYSA-N

Compound name

tert-butyl(dicyclohexyl)phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 338
Patents: 254.21634 Da
Monoisotopic Mass: 4.5
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]+	255.22362	169.4
[M+Na]+	277.20556	168.6
[M-H]-	253.20906	172.1
[M+NH4]+	272.25016	186.2
[M+K]+	293.17950	166.3
[M+H-H2O]+	237.21360	160.1
[M+HCOO]-	299.21454	186.9
[M+CH3COO]-	313.23019	197.9
[M+Na-2H]-	275.19101	165.6
[M]+	254.21579	160.7
[M]-	254.21689	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe