CID 67052683

1197956-24-3

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)P(=O)(C)C)N

InChI

InChI=1S/C9H14NOP/c1-7-6-8(12(2,3)11)4-5-9(7)10/h4-6H,10H2,1-3H3

InChIKey

JNBUHVMBJYXHDI-UHFFFAOYSA-N

Compound name

4-dimethylphosphoryl-2-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 183.0813 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]+	184.08858	141.4
[M+Na]+	206.07052	150.0
[M-H]-	182.07402	144.1
[M+NH4]+	201.11512	162.0
[M+K]+	222.04446	147.9
[M+H-H2O]+	166.07856	134.1
[M+HCOO]-	228.07950	170.3
[M+CH3COO]-	242.09515	186.2
[M+Na-2H]-	204.05597	144.1
[M]+	183.08075	142.0
[M]-	183.08185	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe