CID 83681

Tri-tert-butylphosphine

Structural Information

Molecular Formula

C₁₂H₂₇P

SMILES

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

InChI

InChI=1S/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3

InChIKey

BWHDROKFUHTORW-UHFFFAOYSA-N

Compound name

tritert-butylphosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 23
References: 74220
Patents: 202.18504 Da
Monoisotopic Mass: 2.9
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	156.9
[M+Na]+	225.17426	162.9
[M-H]-	201.17776	156.3
[M+NH4]+	220.21886	177.8
[M+K]+	241.14820	162.7
[M+H-H2O]+	185.18230	151.6
[M+HCOO]-	247.18324	178.4
[M+CH3COO]-	261.19889	192.7
[M+Na-2H]-	223.15971	158.7
[M]+	202.18449	160.0
[M]-	202.18559	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe