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: 4
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]+	262.229416	174.0
[M+Na]+	284.211358	177.3
[M-H]-	260.214864	173.6
[M+NH4]+	279.255963	192.1
[M+K]+	300.185298	177.2
[M+H-H2O]+	244.219400	166.0
[M+HCOO]-	306.220341	198.8
[M+CH3COO]-	320.235991	209.8
[M+Na-2H]-	282.196806	170.8
[M]+	261.22159142	179.6
[M]-	261.22268858	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe