CID 64174573

5-oxaspiro[2.5]octane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C1CC2(CC2C(=O)O)COC1
InChI
InChI=1S/C8H12O3/c9-7(10)6-4-8(6)2-1-3-11-5-8/h6H,1-5H2,(H,9,10)
InChIKey
FGXIPZDQLVSHRH-UHFFFAOYSA-N
Compound name
5-oxaspiro[2.5]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

156.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 132.8
[M+Na]+ 179.06786 140.6
[M-H]- 155.07136 138.6
[M+NH4]+ 174.11246 149.0
[M+K]+ 195.04180 140.9
[M+H-H2O]+ 139.07590 127.9
[M+HCOO]- 201.07684 150.6
[M+CH3COO]- 215.09249 175.0
[M+Na-2H]- 177.05331 140.0
[M]+ 156.07809 132.5
[M]- 156.07919 132.5
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

patents stripe