CID 56962177

6-oxaspiro[3.4]octane-2-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C1COCC12CC(C2)C(=O)O
InChI
InChI=1S/C8H12O3/c9-7(10)6-3-8(4-6)1-2-11-5-8/h6H,1-5H2,(H,9,10)
InChIKey
KDDKTJSXBBUAGK-UHFFFAOYSA-N
Compound name
6-oxaspiro[3.4]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
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 132.9
[M+Na]+ 179.06786 137.0
[M+NH4]+ 174.11246 138.3
[M+K]+ 195.04180 135.2
[M-H]- 155.07136 131.9
[M+Na-2H]- 177.05331 134.6
[M]+ 156.07809 131.8
[M]- 156.07919 131.8
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