CID 567492

1,4-dioxaspiro[4.5]decane-7-carboxylic acid

Structural Information

Molecular Formula
C9H14O4
SMILES
C1CC(CC2(C1)OCCO2)C(=O)O
InChI
InChI=1S/C9H14O4/c10-8(11)7-2-1-3-9(6-7)12-4-5-13-9/h7H,1-6H2,(H,10,11)
InChIKey
HEZLFRSIBZCCRD-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.5]decane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

186.0892 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 138.9
[M+Na]+ 209.07842 143.6
[M-H]- 185.08192 143.6
[M+NH4]+ 204.12302 158.7
[M+K]+ 225.05236 144.9
[M+H-H2O]+ 169.08646 134.4
[M+HCOO]- 231.08740 155.0
[M+CH3COO]- 245.10305 174.5
[M+Na-2H]- 207.06387 144.2
[M]+ 186.08865 134.7
[M]- 186.08975 134.7
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

patents stripe