CID 12766

Cyclooctanol

Structural Information

Molecular Formula
C8H16O
SMILES
C1CCCC(CCC1)O
InChI
InChI=1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2
InChIKey
FHADSMKORVFYOS-UHFFFAOYSA-N
Compound name
cyclooctanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

12605
Patents

128.12012 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 139.1
[M+Na]+ 151.10934 142.9
[M-H]- 127.11284 140.1
[M+NH4]+ 146.15394 148.7
[M+K]+ 167.08328 143.5
[M+H-H2O]+ 111.11738 136.0
[M+HCOO]- 173.11832 147.7
[M+CH3COO]- 187.13397 215.9
[M+Na-2H]- 149.09479 140.0
[M]+ 128.11957 136.4
[M]- 128.12067 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe