CID 66287976

2-cyclooctyl-2-hydroxyacetic acid

Structural Information

Molecular Formula
C10H18O3
SMILES
C1CCCC(CCC1)C(C(=O)O)O
InChI
InChI=1S/C10H18O3/c11-9(10(12)13)8-6-4-2-1-3-5-7-8/h8-9,11H,1-7H2,(H,12,13)
InChIKey
MNIILZGXBQLWTG-UHFFFAOYSA-N
Compound name
2-cyclooctyl-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.1256 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.132876 147.7
[M+Na]+ 209.114818 150.8
[M-H]- 185.118324 147.9
[M+NH4]+ 204.159423 155.8
[M+K]+ 225.088758 151.3
[M+H-H2O]+ 169.122860 144.4
[M+HCOO]- 231.123801 154.7
[M+CH3COO]- 245.139451 219.5
[M+Na-2H]- 207.100266 146.7
[M]+ 186.12505142 144.8
[M]- 186.12614858 144.8
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

No patent data available for this compound.