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]+ 187.13288 147.7
[M+Na]+ 209.11482 150.8
[M-H]- 185.11832 147.9
[M+NH4]+ 204.15942 155.8
[M+K]+ 225.08876 151.3
[M+H-H2O]+ 169.12286 144.4
[M+HCOO]- 231.12380 154.7
[M+CH3COO]- 245.13945 219.5
[M+Na-2H]- 207.10027 146.7
[M]+ 186.12505 144.8
[M]- 186.12615 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.