CID 13392615

1,4-dioxaspiro[4.4]nonane-6-carboxylic acid

Structural Information

Molecular Formula
C8H12O4
SMILES
C1CC(C2(C1)OCCO2)C(=O)O
InChI
InChI=1S/C8H12O4/c9-7(10)6-2-1-3-8(6)11-4-5-12-8/h6H,1-5H2,(H,9,10)
InChIKey
RMNUHMJLVUBJPN-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.4]nonane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

172.07356 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 135.2
[M+Na]+ 195.06278 141.1
[M-H]- 171.06628 140.4
[M+NH4]+ 190.10738 157.4
[M+K]+ 211.03672 142.5
[M+H-H2O]+ 155.07082 131.8
[M+HCOO]- 217.07176 153.7
[M+CH3COO]- 231.08741 171.5
[M+Na-2H]- 193.04823 139.7
[M]+ 172.07301 132.8
[M]- 172.07411 132.8
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