CID 131585960

2-{5-oxaspiro[2.5]octan-6-yl}acetic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
C1CC2(CC2)COC1CC(=O)O
InChI
InChI=1S/C9H14O3/c10-8(11)5-7-1-2-9(3-4-9)6-12-7/h7H,1-6H2,(H,10,11)
InChIKey
FOKWRPLJYUEXOU-UHFFFAOYSA-N
Compound name
2-(5-oxaspiro[2.5]octan-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 137.0
[M+Na]+ 193.08352 144.5
[M-H]- 169.08702 142.7
[M+NH4]+ 188.12812 152.7
[M+K]+ 209.05746 144.5
[M+H-H2O]+ 153.09156 131.9
[M+HCOO]- 215.09250 154.6
[M+CH3COO]- 229.10815 177.9
[M+Na-2H]- 191.06897 143.7
[M]+ 170.09375 137.0
[M]- 170.09485 137.0
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.