CID 118098

33686-17-8

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CC1CC(=C(C1=O)O)N2CCCCC2

InChI

InChI=1S/C11H17NO2/c1-8-7-9(11(14)10(8)13)12-5-3-2-4-6-12/h8,14H,2-7H2,1H3

InChIKey

NNKYPXDAHSRZCR-UHFFFAOYSA-N

Compound name

2-hydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 195.12593 Da
Monoisotopic Mass: 1.7
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]+	196.13321	144.3
[M+Na]+	218.11515	150.6
[M-H]-	194.11865	148.0
[M+NH4]+	213.15975	163.6
[M+K]+	234.08909	147.9
[M+H-H2O]+	178.12319	137.8
[M+HCOO]-	240.12413	162.5
[M+CH3COO]-	254.13978	181.0
[M+Na-2H]-	216.10060	144.9
[M]+	195.12538	139.3
[M]-	195.12648	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe