CID 27966

2-cyclooctyl-2-propanol

Structural Information

Molecular Formula
C11H22O
SMILES
CC(C)(C1CCCCCCC1)O
InChI
InChI=1S/C11H22O/c1-11(2,12)10-8-6-4-3-5-7-9-10/h10,12H,3-9H2,1-2H3
InChIKey
SSIKICQJPUCGEG-UHFFFAOYSA-N
Compound name
2-cyclooctylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

170.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 145.6
[M+Na]+ 193.15629 149.1
[M-H]- 169.15979 146.5
[M+NH4]+ 188.20089 154.6
[M+K]+ 209.13023 149.5
[M+H-H2O]+ 153.16433 142.6
[M+HCOO]- 215.16527 153.1
[M+CH3COO]- 229.18092 220.0
[M+Na-2H]- 191.14174 146.1
[M]+ 170.16652 143.2
[M]- 170.16762 143.2
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