CID 11031398

Dtxsid501153067

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

C1CCCCCC2=C(CCCC1)CCC2=O

InChI

InChI=1S/C15H24O/c16-15-12-11-13-9-7-5-3-1-2-4-6-8-10-14(13)15/h1-12H2

InChIKey

XJLVRZOPNZLSSM-UHFFFAOYSA-N

Compound name

1,2,4,5,6,7,8,9,10,11,12,13-dodecahydrocyclopenta[12]annulen-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 220.18271 Da
Monoisotopic Mass: 4.7
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]+	221.189986	151.2
[M+Na]+	243.171928	154.2
[M-H]-	219.175434	152.1
[M+NH4]+	238.216533	169.2
[M+K]+	259.145868	152.3
[M+H-H2O]+	203.179970	148.4
[M+HCOO]-	265.180911	167.7
[M+CH3COO]-	279.196561	182.5
[M+Na-2H]-	241.157376	151.4
[M]+	220.18216142	141.1
[M]-	220.18325858	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe