CID 304172

33717-87-2

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

COC(=O)C1C2(O1)CCCCC2

InChI

InChI=1S/C9H14O3/c1-11-8(10)7-9(12-7)5-3-2-4-6-9/h7H,2-6H2,1H3

InChIKey

NJSZVKRLALSUAD-UHFFFAOYSA-N

Compound name

methyl 1-oxaspiro[2.5]octane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 170.0943 Da
Monoisotopic Mass: 1.4
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]+	171.10158	138.1
[M+Na]+	193.08352	145.9
[M-H]-	169.08702	145.1
[M+NH4]+	188.12812	154.5
[M+K]+	209.05746	146.9
[M+H-H2O]+	153.09156	132.7
[M+HCOO]-	215.09250	157.0
[M+CH3COO]-	229.10815	179.7
[M+Na-2H]-	191.06897	145.0
[M]+	170.09375	139.7
[M]-	170.09485	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe