CID 115878

63937-31-5

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

C=C1CC(=C(C1=O)O)NN2CCCCC2

InChI

InChI=1S/C11H16N2O2/c1-8-7-9(11(15)10(8)14)12-13-5-3-2-4-6-13/h12,15H,1-7H2

InChIKey

OTJMDLIUFVHKNU-UHFFFAOYSA-N

Compound name

2-hydroxy-5-methylidene-3-(piperidin-1-ylamino)cyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 518
Patents: 208.12119 Da
Monoisotopic Mass: 1.8
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]+	209.12847	146.8
[M+Na]+	231.11041	152.4
[M-H]-	207.11391	150.4
[M+NH4]+	226.15501	165.0
[M+K]+	247.08435	149.0
[M+H-H2O]+	191.11845	139.9
[M+HCOO]-	253.11939	166.1
[M+CH3COO]-	267.13504	185.2
[M+Na-2H]-	229.09586	147.8
[M]+	208.12064	140.4
[M]-	208.12174	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe