CID 81278

6837-24-7

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

C1CCC(CC1)N2CCCC2=O

InChI

InChI=1S/C10H17NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h9H,1-8H2

InChIKey

PZYDAVFRVJXFHS-UHFFFAOYSA-N

Compound name

1-cyclohexylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 11
References: 18680
Patents: 167.13101 Da
Monoisotopic Mass: 1.6
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]+	168.13829	139.0
[M+Na]+	190.12023	143.2
[M-H]-	166.12373	143.0
[M+NH4]+	185.16483	159.3
[M+K]+	206.09417	141.4
[M+H-H2O]+	150.12827	131.8
[M+HCOO]-	212.12921	157.2
[M+CH3COO]-	226.14486	176.7
[M+Na-2H]-	188.10568	140.7
[M]+	167.13046	131.7
[M]-	167.13156	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe