CID 107228

Triisobutylphosphine

Structural Information

Molecular Formula

C₁₂H₂₇P

SMILES

CC(C)CP(CC(C)C)CC(C)C

InChI

InChI=1S/C12H27P/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3

InChIKey

DAGQYUCAQQEEJD-UHFFFAOYSA-N

Compound name

tris(2-methylpropyl)phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2762
Patents: 202.18504 Da
Monoisotopic Mass: 3.9
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	160.1
[M+Na]+	225.17426	163.7
[M-H]-	201.17776	158.5
[M+NH4]+	220.21886	180.1
[M+K]+	241.14820	163.4
[M+H-H2O]+	185.18230	152.8
[M+HCOO]-	247.18324	183.1
[M+CH3COO]-	261.19889	195.9
[M+Na-2H]-	223.15971	154.9
[M]+	202.18449	162.9
[M]-	202.18559	162.9

Literature stripe

literature stripe

Patent stripe

patents stripe