CID 111694

68892-11-5

Structural Information

Molecular Formula

C₁₆H₂₈O₂

SMILES

CCCCCCCCCCCC1CC(=O)C(=C1)O

InChI

InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-14-12-15(17)16(18)13-14/h12,14,17H,2-11,13H2,1H3

InChIKey

AFRAWDMHCCDAIR-UHFFFAOYSA-N

Compound name

2-hydroxy-4-undecylcyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 252.20892 Da
Monoisotopic Mass: 6.1
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]+	253.21620	165.1
[M+Na]+	275.19814	170.1
[M-H]-	251.20164	166.2
[M+NH4]+	270.24274	183.8
[M+K]+	291.17208	166.3
[M+H-H2O]+	235.20618	159.1
[M+HCOO]-	297.20712	185.7
[M+CH3COO]-	311.22277	195.7
[M+Na-2H]-	273.18359	164.5
[M]+	252.20837	167.9
[M]-	252.20947	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe