CID 172542433

1-oxaspiro[3.3]heptan-6-ol

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

C1COC12CC(C2)O

InChI

InChI=1S/C6H10O2/c7-5-3-6(4-5)1-2-8-6/h5,7H,1-4H2

InChIKey

QLCKJESFEWXJTD-UHFFFAOYSA-N

Compound name

1-oxaspiro[3.3]heptan-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 114.06808 Da
Monoisotopic Mass: 0.0
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]+	115.075356	108.6
[M+Na]+	137.057298	113.4
[M-H]-	113.060804	113.8
[M+NH4]+	132.101903	118.2
[M+K]+	153.031238	119.5
[M+H-H2O]+	97.065340	96.9
[M+HCOO]-	159.066281	126.3
[M+CH3COO]-	173.081931	178.9
[M+Na-2H]-	135.042746	117.7
[M]+	114.06753142	123.4
[M]-	114.06862858	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe