CID 82416619

Spiro[2.5]octane-4-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CCC2(CC2)C(C1)C(=O)O
InChI
InChI=1S/C9H14O2/c10-8(11)7-3-1-2-4-9(7)5-6-9/h7H,1-6H2,(H,10,11)
InChIKey
CQUFNDBJMZAWIE-UHFFFAOYSA-N
Compound name
spiro[2.5]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

154.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 134.3
[M+Na]+ 177.088598 141.6
[M-H]- 153.092104 139.3
[M+NH4]+ 172.133203 151.8
[M+K]+ 193.062538 140.1
[M+H-H2O]+ 137.096640 129.5
[M+HCOO]- 199.097581 152.7
[M+CH3COO]- 213.113231 175.9
[M+Na-2H]- 175.074046 139.9
[M]+ 154.09883142 132.1
[M]- 154.09992858 132.1
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