CID 546251

Di-tert-butylneopentylphosphine

Structural Information

Molecular Formula

C₁₃H₂₉P

SMILES

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

InChI

InChI=1S/C13H29P/c1-11(2,3)10-14(12(4,5)6)13(7,8)9/h10H2,1-9H3

InChIKey

JBGICSFDKZAWFJ-UHFFFAOYSA-N

Compound name

ditert-butyl(2,2-dimethylpropyl)phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 290
Patents: 216.20068 Da
Monoisotopic Mass: 3.6
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]+	217.20796	161.8
[M+Na]+	239.18990	167.4
[M-H]-	215.19340	161.0
[M+NH4]+	234.23450	182.1
[M+K]+	255.16384	166.9
[M+H-H2O]+	199.19794	156.3
[M+HCOO]-	261.19888	183.0
[M+CH3COO]-	275.21453	195.7
[M+Na-2H]-	237.17535	163.1
[M]+	216.20013	165.3
[M]-	216.20123	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe