CID 84653004

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

Structural Information

Molecular Formula
C9H12O3
SMILES
C1CC2(CCC1=O)CC2C(=O)O
InChI
InChI=1S/C9H12O3/c10-6-1-3-9(4-2-6)5-7(9)8(11)12/h7H,1-5H2,(H,11,12)
InChIKey
XWPWZXQXQJZMFU-UHFFFAOYSA-N
Compound name
6-oxospiro[2.5]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

168.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 138.7
[M+Na]+ 191.06786 150.1
[M+NH4]+ 186.11246 148.6
[M+K]+ 207.04180 145.0
[M-H]- 167.07136 146.9
[M+Na-2H]- 189.05331 146.5
[M]+ 168.07809 143.7
[M]- 168.07919 143.7
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

No patent data available for this compound.