CID 20388412

50471-75-5

Structural Information

Molecular Formula

C₁₃H₁₄O

SMILES

C1CCC2(C1)CC(=O)C3=CC=CC=C23

InChI

InChI=1S/C13H14O/c14-12-9-13(7-3-4-8-13)11-6-2-1-5-10(11)12/h1-2,5-6H,3-4,7-9H2

InChIKey

DHGPGMQFHONYSE-UHFFFAOYSA-N

Compound name

spiro[2H-indene-3,1'-cyclopentane]-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 186.10446 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]+	187.11174	142.7
[M+Na]+	209.09368	151.0
[M-H]-	185.09718	149.5
[M+NH4]+	204.13828	169.3
[M+K]+	225.06762	147.1
[M+H-H2O]+	169.10172	137.6
[M+HCOO]-	231.10266	165.0
[M+CH3COO]-	245.11831	156.6
[M+Na-2H]-	207.07913	146.7
[M]+	186.10391	139.6
[M]-	186.10501	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe