CID 175661

Nectaryl

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC1=CCC(CC1)C(C)CC2CCCC2=O

InChI

InChI=1S/C15H24O/c1-11-6-8-13(9-7-11)12(2)10-14-4-3-5-15(14)16/h6,12-14H,3-5,7-10H2,1-2H3

InChIKey

KNHGOYVXAHUDHP-UHFFFAOYSA-N

Compound name

2-[2-(4-methylcyclohex-3-en-1-yl)propyl]cyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 2325
Patents: 220.18271 Da
Monoisotopic Mass: 3.4
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]+	221.189986	155.1
[M+Na]+	243.171928	159.0
[M-H]-	219.175434	160.6
[M+NH4]+	238.216533	175.1
[M+K]+	259.145868	156.2
[M+H-H2O]+	203.179970	148.8
[M+HCOO]-	265.180911	173.5
[M+CH3COO]-	279.196561	190.7
[M+Na-2H]-	241.157376	153.5
[M]+	220.18216142	150.4
[M]-	220.18325858	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe