CID 22357444

185526-59-4

Structural Information

Molecular Formula

C₁₄H₁₆O

SMILES

C1CC2(CCC1=O)CCC3=CC=CC=C23

InChI

InChI=1S/C14H16O/c15-12-6-9-14(10-7-12)8-5-11-3-1-2-4-13(11)14/h1-4H,5-10H2

InChIKey

YKVYDPXSEBDAGJ-UHFFFAOYSA-N

Compound name

spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 200.12012 Da
Monoisotopic Mass: 2.7
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]+	201.12740	146.6
[M+Na]+	223.10934	158.9
[M+NH4]+	218.15394	158.8
[M+K]+	239.08328	150.5
[M-H]-	199.11284	151.0
[M+Na-2H]-	221.09479	154.1
[M]+	200.11957	149.7
[M]-	200.12067	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe