CID 155977930

2-{5,8-dioxaspiro[3.5]nonan-7-yl}acetic acid

Structural Information

Molecular Formula
C9H14O4
SMILES
C1CC2(C1)COC(CO2)CC(=O)O
InChI
InChI=1S/C9H14O4/c10-8(11)4-7-5-13-9(6-12-7)2-1-3-9/h7H,1-6H2,(H,10,11)
InChIKey
BVSPDOWLWRZPLD-UHFFFAOYSA-N
Compound name
2-(5,8-dioxaspiro[3.5]nonan-7-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 132.3
[M+Na]+ 209.078418 135.8
[M-H]- 185.081924 137.2
[M+NH4]+ 204.123023 144.1
[M+K]+ 225.052358 140.7
[M+H-H2O]+ 169.086460 122.7
[M+HCOO]- 231.087401 147.6
[M+CH3COO]- 245.103051 179.9
[M+Na-2H]- 207.063866 139.6
[M]+ 186.08865142 138.7
[M]- 186.08974858 138.7
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

No patent data available for this compound.