CID 155819670

3-oxospiro[3.5]nonane-1-carboxylic acid

Structural Information

Molecular Formula
C10H14O3
SMILES
C1CCC2(CC1)C(CC2=O)C(=O)O
InChI
InChI=1S/C10H14O3/c11-8-6-7(9(12)13)10(8)4-2-1-3-5-10/h7H,1-6H2,(H,12,13)
InChIKey
UJRFUJRUKDTGHA-UHFFFAOYSA-N
Compound name
3-oxospiro[3.5]nonane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 142.0
[M+Na]+ 205.08352 146.9
[M+NH4]+ 200.12812 147.2
[M+K]+ 221.05746 142.3
[M-H]- 181.08702 140.3
[M+Na-2H]- 203.06897 144.3
[M]+ 182.09375 140.9
[M]- 182.09485 140.9
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.