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]+ 187.09648 140.0
[M+Na]+ 209.07842 144.9
[M+NH4]+ 204.12302 144.8
[M+K]+ 225.05236 141.6
[M-H]- 185.08192 140.5
[M+Na-2H]- 207.06387 141.6
[M]+ 186.08865 139.5
[M]- 186.08975 139.5
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.