CID 83480861

Spiro[3.5]nonane-6-carboxylic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CC(CC2(C1)CCC2)C(=O)O
InChI
InChI=1S/C10H16O2/c11-9(12)8-3-1-4-10(7-8)5-2-6-10/h8H,1-7H2,(H,11,12)
InChIKey
CJTZPIMCOFJEBF-UHFFFAOYSA-N
Compound name
spiro[3.5]nonane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

168.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 135.5
[M+Na]+ 191.10426 139.0
[M-H]- 167.10776 139.1
[M+NH4]+ 186.14886 150.7
[M+K]+ 207.07820 140.4
[M+H-H2O]+ 151.11230 126.0
[M+HCOO]- 213.11324 151.9
[M+CH3COO]- 227.12889 178.5
[M+Na-2H]- 189.08971 139.9
[M]+ 168.11449 138.1
[M]- 168.11559 138.1
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