CID 20376907

2445790-96-3

Structural Information

Molecular Formula

C₇H₁₇N₂OP

SMILES

CP(=O)(C)CN1CCNCC1

InChI

InChI=1S/C7H17N2OP/c1-11(2,10)7-9-5-3-8-4-6-9/h8H,3-7H2,1-2H3

InChIKey

IYMUNSAIIAKDRC-UHFFFAOYSA-N

Compound name

1-(dimethylphosphorylmethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 176.10785 Da
Monoisotopic Mass: -1.1
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]+	177.115126	144.2
[M+Na]+	199.097068	148.9
[M-H]-	175.100574	141.4
[M+NH4]+	194.141673	161.2
[M+K]+	215.071008	147.3
[M+H-H2O]+	159.105110	135.2
[M+HCOO]-	221.106051	164.7
[M+CH3COO]-	235.121701	177.6
[M+Na-2H]-	197.082516	146.4
[M]+	176.10730142	139.7
[M]-	176.10839858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe