CID 118168

34421-11-9

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC1(CC(=C(C1=O)O)N2CCCCC2)O

InChI

InChI=1S/C11H17NO3/c1-11(15)7-8(9(13)10(11)14)12-5-3-2-4-6-12/h13,15H,2-7H2,1H3

InChIKey

HICPSQHUQBAFIQ-UHFFFAOYSA-N

Compound name

2,5-dihydroxy-5-methyl-3-piperidin-1-ylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 418
Patents: 211.12085 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]+	212.12813	147.0
[M+Na]+	234.11007	153.8
[M-H]-	210.11357	149.7
[M+NH4]+	229.15467	166.9
[M+K]+	250.08401	150.9
[M+H-H2O]+	194.11811	141.5
[M+HCOO]-	256.11905	163.9
[M+CH3COO]-	270.13470	180.2
[M+Na-2H]-	232.09552	148.5
[M]+	211.12030	142.0
[M]-	211.12140	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe