CID 53772109

5-methyl-1-oxaspiro[2.3]hexane

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC1CC2(C1)CO2

InChI

InChI=1S/C6H10O/c1-5-2-6(3-5)4-7-6/h5H,2-4H2,1H3

InChIKey

DPIPTOTXJZDYGJ-UHFFFAOYSA-N

Compound name

5-methyl-1-oxaspiro[2.3]hexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 98.073166 Da
Monoisotopic Mass: 1.0
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	113.6
[M+Na]+	121.06238	122.7
[M-H]-	97.065890	121.7
[M+NH4]+	116.10699	127.3
[M+K]+	137.03632	126.6
[M+H-H2O]+	81.070426	105.1
[M+HCOO]-	143.07137	135.1
[M+CH3COO]-	157.08702	173.2
[M+Na-2H]-	119.04783	124.0
[M]+	98.072617	124.6
[M]-	98.073715	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe