CID 155820370

5-oxaspiro[3.4]octane-7-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C1CC2(C1)CC(CO2)C(=O)O
InChI
InChI=1S/C8H12O3/c9-7(10)6-4-8(11-5-6)2-1-3-8/h6H,1-5H2,(H,9,10)
InChIKey
FFYILFNCQWWJCT-UHFFFAOYSA-N
Compound name
5-oxaspiro[3.4]octane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

156.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 127.0
[M+Na]+ 179.06786 131.8
[M-H]- 155.07136 131.9
[M+NH4]+ 174.11246 143.2
[M+K]+ 195.04180 134.9
[M+H-H2O]+ 139.07590 118.7
[M+HCOO]- 201.07684 145.4
[M+CH3COO]- 215.09249 174.3
[M+Na-2H]- 177.05331 132.4
[M]+ 156.07809 133.0
[M]- 156.07919 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