CID 81914

7418-16-8

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CC(C)(C1CCC(=O)CC1)C2CCC(=O)CC2

InChI

InChI=1S/C15H24O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-12H,3-10H2,1-2H3

InChIKey

HAWVCXABNZBPED-UHFFFAOYSA-N

Compound name

4-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 209
Patents: 236.17763 Da
Monoisotopic Mass: 2.3
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]+	237.184906	156.5
[M+Na]+	259.166848	159.3
[M-H]-	235.170354	161.6
[M+NH4]+	254.211453	173.9
[M+K]+	275.140788	156.9
[M+H-H2O]+	219.174890	150.2
[M+HCOO]-	281.175831	171.1
[M+CH3COO]-	295.191481	192.3
[M+Na-2H]-	257.152296	157.6
[M]+	236.17708142	149.2
[M]-	236.17817858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe