CID 24689378

2225136-32-1

Structural Information

Molecular Formula

C₁₀H₁₈N₂O

SMILES

C1CC(=O)N(C1)C2CCC(CC2)N

InChI

InChI=1S/C10H18N2O/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h8-9H,1-7,11H2

InChIKey

BHPOOWBWUQPPQQ-UHFFFAOYSA-N

Compound name

1-(4-aminocyclohexyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 182.1419 Da
Monoisotopic Mass: 0.2
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]+	183.14918	142.5
[M+Na]+	205.13112	146.8
[M-H]-	181.13462	146.3
[M+NH4]+	200.17572	162.0
[M+K]+	221.10506	144.5
[M+H-H2O]+	165.13916	135.3
[M+HCOO]-	227.14010	161.2
[M+CH3COO]-	241.15575	182.0
[M+Na-2H]-	203.11657	143.0
[M]+	182.14135	134.0
[M]-	182.14245	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe