CID 88645

Dimethyl-p-tolylphosphine

Structural Information

Molecular Formula

C₉H₁₃P

SMILES

CC1=CC=C(C=C1)P(C)C

InChI

InChI=1S/C9H13P/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3

InChIKey

SBKKNXWJUVBJKE-UHFFFAOYSA-N

Compound name

dimethyl-(4-methylphenyl)phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 152.07549 Da
Monoisotopic Mass: 2.3
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]+	153.082766	134.5
[M+Na]+	175.064708	142.2
[M-H]-	151.068214	137.3
[M+NH4]+	170.109313	156.6
[M+K]+	191.038648	140.7
[M+H-H2O]+	135.072750	127.1
[M+HCOO]-	197.073691	163.2
[M+CH3COO]-	211.089341	180.4
[M+Na-2H]-	173.050156	136.7
[M]+	152.07494142	135.8
[M]-	152.07603858	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe