CID 44145865

Hu81o2k1gb

Structural Information

Molecular Formula

C₁₁H₂₀NO₄P

SMILES

CCCCOP(=O)(C)CCC(C#N)OC(=O)C

InChI

InChI=1S/C11H20NO4P/c1-4-5-7-15-17(3,14)8-6-11(9-12)16-10(2)13/h11H,4-8H2,1-3H3

InChIKey

FVJMPOQOCYFLLM-UHFFFAOYSA-N

Compound name

[3-[butoxy(methyl)phosphoryl]-1-cyanopropyl] acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 41
Patents: 261.113 Da
Monoisotopic Mass: 0.7
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]+	262.12028	158.1
[M+Na]+	284.10222	164.8
[M+NH4]+	279.14682	159.4
[M+K]+	300.07616	158.7
[M-H]-	260.10572	147.7
[M+Na-2H]-	282.08767	156.2
[M]+	261.11245	154.8
[M]-	261.11355	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe