CID 155820201

2,5-dioxaspiro[3.5]nonane-7-carboxylic acid

Structural Information

Molecular Formula
C8H12O4
SMILES
C1CC2(COC2)OCC1C(=O)O
InChI
InChI=1S/C8H12O4/c9-7(10)6-1-2-8(12-3-6)4-11-5-8/h6H,1-5H2,(H,9,10)
InChIKey
YNIXZNIXGBAVKH-UHFFFAOYSA-N
Compound name
2,5-dioxaspiro[3.5]nonane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.07356 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 127.6
[M+Na]+ 195.06278 131.5
[M-H]- 171.06628 132.7
[M+NH4]+ 190.10738 140.0
[M+K]+ 211.03672 136.7
[M+H-H2O]+ 155.07082 118.2
[M+HCOO]- 217.07176 143.2
[M+CH3COO]- 231.08741 176.9
[M+Na-2H]- 193.04823 135.4
[M]+ 172.07301 133.6
[M]- 172.07411 133.6
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.