CID 81358197

5-oxaspiro[2.4]heptan-1-ylmethanol

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

C1COCC12CC2CO

InChI

InChI=1S/C7H12O2/c8-4-6-3-7(6)1-2-9-5-7/h6,8H,1-5H2

InChIKey

GLWJFGRABBHPCD-UHFFFAOYSA-N

Compound name

5-oxaspiro[2.4]heptan-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 128.08372 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]+	129.09100	124.8
[M+Na]+	151.07294	134.0
[M-H]-	127.07644	130.9
[M+NH4]+	146.11754	144.1
[M+K]+	167.04688	133.7
[M+H-H2O]+	111.08098	120.6
[M+HCOO]-	173.08192	145.4
[M+CH3COO]-	187.09757	169.8
[M+Na-2H]-	149.05839	132.5
[M]+	128.08317	125.9
[M]-	128.08427	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.