CID 470974

Methylenedispiro[[?]]one

Structural Information

Molecular Formula

C₁₅H₁₈O₄

SMILES

C=C1[C@@H]2CC[C@]3(CO3)[C@@H]4CC[C@]5([C@@H]4[C@H]2OC1=O)CO5

InChI

InChI=1S/C15H18O4/c1-8-9-2-4-14(6-17-14)10-3-5-15(7-18-15)11(10)12(9)19-13(8)16/h9-12H,1-7H2/t9-,10+,11-,12-,14-,15+/m0/s1

InChIKey

ILBWNMZWIIFLQI-FIPALRBNSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 262.1205 Da
Monoisotopic Mass: 1.1
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]+	263.127776	154.7
[M+Na]+	285.109718	161.4
[M-H]-	261.113224	165.3
[M+NH4]+	280.154323	164.3
[M+K]+	301.083658	163.8
[M+H-H2O]+	245.117760	152.6
[M+HCOO]-	307.118701	163.0
[M+CH3COO]-	321.134351	164.1
[M+Na-2H]-	283.095166	157.3
[M]+	262.11995142	156.3
[M]-	262.12104858	156.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.