CID 79903862

2,6-dioxaspiro[4.5]decane-9-carboxylic acid

Structural Information

Molecular Formula
C9H14O4
SMILES
C1COC2(CCOC2)CC1C(=O)O
InChI
InChI=1S/C9H14O4/c10-8(11)7-1-3-13-9(5-7)2-4-12-6-9/h7H,1-6H2,(H,10,11)
InChIKey
SGUJPGPYNBCHBO-UHFFFAOYSA-N
Compound name
2,6-dioxaspiro[4.5]decane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.0892 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 138.9
[M+Na]+ 209.078418 143.6
[M-H]- 185.081924 143.6
[M+NH4]+ 204.123023 158.7
[M+K]+ 225.052358 144.9
[M+H-H2O]+ 169.086460 134.4
[M+HCOO]- 231.087401 155.0
[M+CH3COO]- 245.103051 174.5
[M+Na-2H]- 207.063866 144.2
[M]+ 186.08865142 134.7
[M]- 186.08974858 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