CID 146049808

2,9-dioxaspiro[5.5]undecane-3-carboxylic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
C1CC2(CCOCC2)COC1C(=O)O
InChI
InChI=1S/C10H16O4/c11-9(12)8-1-2-10(7-14-8)3-5-13-6-4-10/h8H,1-7H2,(H,11,12)
InChIKey
GIPIFLUXORCWAV-UHFFFAOYSA-N
Compound name
2,9-dioxaspiro[5.5]undecane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 143.2
[M+Na]+ 223.094078 146.6
[M-H]- 199.097584 147.6
[M+NH4]+ 218.138683 160.5
[M+K]+ 239.068018 148.0
[M+H-H2O]+ 183.102120 137.5
[M+HCOO]- 245.103061 156.9
[M+CH3COO]- 259.118711 178.1
[M+Na-2H]- 221.079526 149.3
[M]+ 200.10431142 137.3
[M]- 200.10540858 137.3
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.