CID 138379

4893-00-9

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

C1CC2(C1)C(=O)C3(C2=O)CCC3

InChI

InChI=1S/C10H12O2/c11-7-9(3-1-4-9)8(12)10(7)5-2-6-10/h1-6H2

InChIKey

VFHGYGWDEXAIAE-UHFFFAOYSA-N

Compound name

dispiro[3.1.36.14]decane-5,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.08372 Da
Monoisotopic Mass: 1.7
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]+	165.09100	120.5
[M+Na]+	187.07294	125.1
[M-H]-	163.07644	127.7
[M+NH4]+	182.11754	125.5
[M+K]+	203.04688	130.2
[M+H-H2O]+	147.08098	107.7
[M+HCOO]-	209.08192	135.8
[M+CH3COO]-	223.09757	204.3
[M+Na-2H]-	185.05839	126.7
[M]+	164.08317	140.6
[M]-	164.08427	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.