CID 77326

3736-67-2

Structural Information

Molecular Formula

C₁₄H₃₂NOP

SMILES

CCCCP(=O)(CCCC)N(C(C)C)C(C)C

InChI

InChI=1S/C14H32NOP/c1-7-9-11-17(16,12-10-8-2)15(13(3)4)14(5)6/h13-14H,7-12H2,1-6H3

InChIKey

CETXIFFYLYWMLI-UHFFFAOYSA-N

Compound name

N-dibutylphosphoryl-N-propan-2-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 261.22214 Da
Monoisotopic Mass: 3.7
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]+	262.22942	174.0
[M+Na]+	284.21136	177.3
[M-H]-	260.21486	173.6
[M+NH4]+	279.25596	192.1
[M+K]+	300.18530	177.2
[M+H-H2O]+	244.21940	166.0
[M+HCOO]-	306.22034	198.8
[M+CH3COO]-	320.23599	209.8
[M+Na-2H]-	282.19681	170.8
[M]+	261.22159	179.6
[M]-	261.22269	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe