CID 137942951

2260937-83-3

Structural Information

Molecular Formula

C₇H₁₁N₂OP

SMILES

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

InChI

InChI=1S/C7H11N2OP/c1-11(2,10)7-5-9-4-3-6(7)8/h3-5H,1-2H3,(H2,8,9)

InChIKey

GPVLIVDTHUDKHC-UHFFFAOYSA-N

Compound name

3-dimethylphosphorylpyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.0609 Da
Monoisotopic Mass: -0.3
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]+	171.068176	137.3
[M+Na]+	193.050118	145.7
[M-H]-	169.053624	138.5
[M+NH4]+	188.094723	156.7
[M+K]+	209.024058	144.0
[M+H-H2O]+	153.058160	129.0
[M+HCOO]-	215.059101	165.5
[M+CH3COO]-	229.074751	181.6
[M+Na-2H]-	191.035566	141.7
[M]+	170.06035142	137.2
[M]-	170.06144858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe