CID 131751496

Soothe

Structural Information

Molecular Formula

C₆H₁₃NOP₂

SMILES

C1CC(=O)N(C1)C(CP)P

InChI

InChI=1S/C6H13NOP2/c8-5-2-1-3-7(5)6(10)4-9/h6H,1-4,9-10H2

InChIKey

LQIAZOCLNBBZQK-UHFFFAOYSA-N

Compound name

1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3507
References: 27398
Patents: 177.04724 Da
Monoisotopic Mass: -0.7
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]+	178.05452	141.5
[M+Na]+	200.03646	147.5
[M-H]-	176.03996	140.9
[M+NH4]+	195.08106	162.9
[M+K]+	216.01040	147.3
[M+H-H2O]+	160.04450	131.0
[M+HCOO]-	222.04544	172.8
[M+CH3COO]-	236.06109	183.2
[M+Na-2H]-	198.02191	137.6
[M]+	177.04669	141.8
[M]-	177.04779	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe