CID 131402445

7-(hydroxymethyl)-6-oxaspiro[3.4]octan-2-one

Structural Information

Molecular Formula
C8H12O3
SMILES
C1C(OCC12CC(=O)C2)CO
InChI
InChI=1S/C8H12O3/c9-4-7-3-8(5-11-7)1-6(10)2-8/h7,9H,1-5H2
InChIKey
JXCYPUSTYGCYQD-UHFFFAOYSA-N
Compound name
7-(hydroxymethyl)-6-oxaspiro[3.4]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 124.6
[M+Na]+ 179.06786 130.6
[M-H]- 155.07136 129.8
[M+NH4]+ 174.11246 141.2
[M+K]+ 195.04180 133.2
[M+H-H2O]+ 139.07590 116.6
[M+HCOO]- 201.07684 144.0
[M+CH3COO]- 215.09249 174.5
[M+Na-2H]- 177.05331 130.8
[M]+ 156.07809 131.6
[M]- 156.07919 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.