CID 155943457

[6-(dimethylphosphoryl)pyridin-3-yl]methanamine

Structural Information

Molecular Formula

C₈H₁₃N₂OP

SMILES

CP(=O)(C)C1=NC=C(C=C1)CN

InChI

InChI=1S/C8H13N2OP/c1-12(2,11)8-4-3-7(5-9)6-10-8/h3-4,6H,5,9H2,1-2H3

InChIKey

HPPBXDHGLIWOAW-UHFFFAOYSA-N

Compound name

(6-dimethylphosphorylpyridin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.07655 Da
Monoisotopic Mass: -0.9
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]+	185.08383	140.4
[M+Na]+	207.06577	151.5
[M+NH4]+	202.11037	147.6
[M+K]+	223.03971	146.4
[M-H]-	183.06927	141.2
[M+Na-2H]-	205.05122	146.2
[M]+	184.07600	142.0
[M]-	184.07710	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe