CID 11030443

51716-62-2

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1COC2(O1)C[C@H]3CC(=O)C[C@H]3C2

InChI

InChI=1S/C10H14O3/c11-9-3-7-5-10(6-8(7)4-9)12-1-2-13-10/h7-8H,1-6H2/t7-,8+

InChIKey

WWAYLSXXLXIQNN-OCAPTIKFSA-N

Compound name

(3aR,6aS)-spiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 182.0943 Da
Monoisotopic Mass: 0.1
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]+	183.101576	139.3
[M+Na]+	205.083518	146.4
[M-H]-	181.087024	146.8
[M+NH4]+	200.128123	164.7
[M+K]+	221.057458	146.8
[M+H-H2O]+	165.091560	136.8
[M+HCOO]-	227.092501	158.6
[M+CH3COO]-	241.108151	153.2
[M+Na-2H]-	203.068966	142.5
[M]+	182.09375142	137.2
[M]-	182.09484858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe