CID 83906679

Spiro[4.5]decane-6-carboxylic acid

Structural Information

Molecular Formula
C11H18O2
SMILES
C1CCC2(CCCC2)C(C1)C(=O)O
InChI
InChI=1S/C11H18O2/c12-10(13)9-5-1-2-6-11(9)7-3-4-8-11/h9H,1-8H2,(H,12,13)
InChIKey
XPJBFOCXEOPFIB-UHFFFAOYSA-N
Compound name
spiro[4.5]decane-10-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

182.13068 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 144.1
[M+Na]+ 205.11990 147.9
[M-H]- 181.12340 147.2
[M+NH4]+ 200.16450 166.7
[M+K]+ 221.09384 145.7
[M+H-H2O]+ 165.12794 139.0
[M+HCOO]- 227.12888 160.9
[M+CH3COO]- 241.14453 176.0
[M+Na-2H]- 203.10535 146.0
[M]+ 182.13013 136.3
[M]- 182.13123 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