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]+ 197.153606 148.6
[M+Na]+ 219.135548 152.0
[M-H]- 195.139054 151.5
[M+NH4]+ 214.180153 170.7
[M+K]+ 235.109488 149.6
[M+H-H2O]+ 179.143590 143.3
[M+HCOO]- 241.144531 165.1
[M+CH3COO]- 255.160181 179.1
[M+Na-2H]- 217.120996 150.0
[M]+ 196.14578142 141.1
[M]- 196.14687858 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