CID 13928744

Spiro[4.5]decane-8-carboxylic acid

Structural Information

Molecular Formula
C11H18O2
SMILES
C1CCC2(C1)CCC(CC2)C(=O)O
InChI
InChI=1S/C11H18O2/c12-10(13)9-3-7-11(8-4-9)5-1-2-6-11/h9H,1-8H2,(H,12,13)
InChIKey
NOHIIJZANZJPGI-UHFFFAOYSA-N
Compound name
spiro[4.5]decane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

182.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 144.1
[M+Na]+ 205.119898 147.9
[M-H]- 181.123404 147.2
[M+NH4]+ 200.164503 166.7
[M+K]+ 221.093838 145.7
[M+H-H2O]+ 165.127940 139.0
[M+HCOO]- 227.128881 160.9
[M+CH3COO]- 241.144531 176.0
[M+Na-2H]- 203.105346 146.0
[M]+ 182.13013142 136.3
[M]- 182.13122858 136.3
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