CID 13183498

89630-50-2

Structural Information

Molecular Formula

SMILES

CP(=O)(C)CC#N

InChI

InChI=1S/C4H8NOP/c1-7(2,6)4-3-5/h4H2,1-2H3

InChIKey

KYKNMVJWVRZODV-UHFFFAOYSA-N

Compound name

2-dimethylphosphorylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 117.03435 Da
Monoisotopic Mass: -0.8
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]+	118.04163	119.0
[M+Na]+	140.02357	129.1
[M-H]-	116.02707	119.5
[M+NH4]+	135.06817	140.3
[M+K]+	155.99751	129.2
[M+H-H2O]+	100.03161	107.1
[M+HCOO]-	162.03255	143.8
[M+CH3COO]-	176.04820	184.1
[M+Na-2H]-	138.00902	124.6
[M]+	117.03380	116.6
[M]-	117.03490	116.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe