CID 21199130

1-(6-aminohexyl)-2-pyrrolidinone

Structural Information

Molecular Formula

C₁₀H₂₀N₂O

SMILES

C1CC(=O)N(C1)CCCCCCN

InChI

InChI=1S/C10H20N2O/c11-7-3-1-2-4-8-12-9-5-6-10(12)13/h1-9,11H2

InChIKey

ARKHFOXARSJRGJ-UHFFFAOYSA-N

Compound name

1-(6-aminohexyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 184.15756 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]+	185.164836	144.6
[M+Na]+	207.146778	149.7
[M-H]-	183.150284	145.3
[M+NH4]+	202.191383	164.3
[M+K]+	223.120718	147.6
[M+H-H2O]+	167.154820	137.7
[M+HCOO]-	229.155761	166.1
[M+CH3COO]-	243.171411	184.2
[M+Na-2H]-	205.132226	146.5
[M]+	184.15701142	142.5
[M]-	184.15810858	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe