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

30
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 127.0
[M+Na]+ 179.067858 131.8
[M-H]- 155.071364 131.9
[M+NH4]+ 174.112463 143.2
[M+K]+ 195.041798 134.9
[M+H-H2O]+ 139.075900 118.7
[M+HCOO]- 201.076841 145.4
[M+CH3COO]- 215.092491 174.3
[M+Na-2H]- 177.053306 132.4
[M]+ 156.07809142 133.0
[M]- 156.07918858 133.0
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