CID 53275726

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

Structural Information

Molecular Formula
C8H12O3
SMILES
C1COCCC12CC2C(=O)O
InChI
InChI=1S/C8H12O3/c9-7(10)6-5-8(6)1-3-11-4-2-8/h6H,1-5H2,(H,9,10)
InChIKey
FGFLMSPWCDFJRM-UHFFFAOYSA-N
Compound name
6-oxaspiro[2.5]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

156.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 132.8
[M+Na]+ 179.067858 140.6
[M-H]- 155.071364 138.6
[M+NH4]+ 174.112463 149.0
[M+K]+ 195.041798 140.9
[M+H-H2O]+ 139.075900 127.9
[M+HCOO]- 201.076841 150.6
[M+CH3COO]- 215.092491 175.0
[M+Na-2H]- 177.053306 140.0
[M]+ 156.07809142 132.5
[M]- 156.07918858 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