CID 637991

1-oxaspiro[2.4]heptane

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C1CCC2(C1)CO2

InChI

InChI=1S/C6H10O/c1-2-4-6(3-1)5-7-6/h1-5H2

InChIKey

FQKVQCUFRWNQDO-UHFFFAOYSA-N

Compound name

1-oxaspiro[2.4]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 98.073166 Da
Monoisotopic Mass: 0.9
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]+	99.080442	118.4
[M+Na]+	121.06238	127.5
[M-H]-	97.065890	125.7
[M+NH4]+	116.10699	139.2
[M+K]+	137.03632	128.4
[M+H-H2O]+	81.070426	113.8
[M+HCOO]-	143.07137	140.7
[M+CH3COO]-	157.08702	133.4
[M+Na-2H]-	119.04783	127.5
[M]+	98.072617	119.0
[M]-	98.073715	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe