CID 138827

Bis(3-aminopropyl)phenylphosphine

Structural Information

Molecular Formula

C₁₂H₂₁N₂P

SMILES

C1=CC=C(C=C1)P(CCCN)CCCN

InChI

InChI=1S/C12H21N2P/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11,13-14H2

InChIKey

OEHBMEXOPYWPKQ-UHFFFAOYSA-N

Compound name

3-[3-aminopropyl(phenyl)phosphanyl]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 224.14424 Da
Monoisotopic Mass: 0.3
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]+	225.15152	156.7
[M+Na]+	247.13346	165.7
[M+NH4]+	242.17806	164.4
[M+K]+	263.10740	158.9
[M-H]-	223.13696	159.4
[M+Na-2H]-	245.11891	161.6
[M]+	224.14369	158.4
[M]-	224.14479	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe