CID 12603441

1816254-91-7

Structural Information

Molecular Formula

C₁₂H₂₇P

SMILES

CCCCP(C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C12H27P/c1-8-9-10-13(11(2,3)4)12(5,6)7/h8-10H2,1-7H3

InChIKey

JFKBSRFAWDZHEK-UHFFFAOYSA-N

Compound name

butyl(ditert-butyl)phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 196
Patents: 202.18504 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]+	203.19232	159.0
[M+Na]+	225.17426	164.4
[M-H]-	201.17776	157.9
[M+NH4]+	220.21886	179.6
[M+K]+	241.14820	163.6
[M+H-H2O]+	185.18230	152.9
[M+HCOO]-	247.18324	182.0
[M+CH3COO]-	261.19889	192.8
[M+Na-2H]-	223.15971	159.5
[M]+	202.18449	162.7
[M]-	202.18559	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe