CID 83670136

2-{spiro[4.5]decan-8-yl}acetic acid

Structural Information

Molecular Formula
C12H20O2
SMILES
C1CCC2(C1)CCC(CC2)CC(=O)O
InChI
InChI=1S/C12H20O2/c13-11(14)9-10-3-7-12(8-4-10)5-1-2-6-12/h10H,1-9H2,(H,13,14)
InChIKey
LEEUEVOIJKGQQY-UHFFFAOYSA-N
Compound name
2-spiro[4.5]decan-8-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

196.14633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 148.6
[M+Na]+ 219.13555 152.0
[M-H]- 195.13905 151.5
[M+NH4]+ 214.18015 170.7
[M+K]+ 235.10949 149.6
[M+H-H2O]+ 179.14359 143.3
[M+HCOO]- 241.14453 165.1
[M+CH3COO]- 255.16018 179.1
[M+Na-2H]- 217.12100 150.0
[M]+ 196.14578 141.1
[M]- 196.14688 141.1
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