CID 39966

Buminafos

Structural Information

Molecular Formula

C₁₈H₃₈NO₃P

SMILES

CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC

InChI

InChI=1S/C18H38NO3P/c1-4-7-15-19-18(13-11-10-12-14-18)23(20,21-16-8-5-2)22-17-9-6-3/h19H,4-17H2,1-3H3

InChIKey

NMBXMBCZBXUXAM-UHFFFAOYSA-N

Compound name

N-butyl-1-dibutoxyphosphorylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 4579
Patents: 347.25894 Da
Monoisotopic Mass: 4.5
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]+	348.266216	191.7
[M+Na]+	370.248158	192.2
[M-H]-	346.251664	191.4
[M+NH4]+	365.292763	206.8
[M+K]+	386.222098	190.3
[M+H-H2O]+	330.256200	182.7
[M+HCOO]-	392.257141	214.2
[M+CH3COO]-	406.272791	216.7
[M+Na-2H]-	368.233606	191.2
[M]+	347.25839142	194.8
[M]-	347.25948858	194.8

Literature stripe

literature stripe

Patent stripe

patents stripe