CID 74150

1605-65-8

Structural Information

Molecular Formula

C₄H₁₂ClN₂OP

SMILES

CN(C)P(=O)(N(C)C)Cl

InChI

InChI=1S/C4H12ClN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3

InChIKey

WYLQARGYFXBZMD-UHFFFAOYSA-N

Compound name

N-[chloro(dimethylamino)phosphoryl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 423
Patents: 170.03758 Da
Monoisotopic Mass: 0.1
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]+	171.044856	134.4
[M+Na]+	193.026798	142.3
[M-H]-	169.030304	137.1
[M+NH4]+	188.071403	157.4
[M+K]+	209.000738	143.0
[M+H-H2O]+	153.034840	128.4
[M+HCOO]-	215.035781	161.5
[M+CH3COO]-	229.051431	190.0
[M+Na-2H]-	191.012246	138.2
[M]+	170.03703142	139.8
[M]-	170.03812858	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe