CID 277081

5-hydroxycyclooctan-1-one

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CC(CCCC(=O)C1)O
InChI
InChI=1S/C8H14O2/c9-7-3-1-4-8(10)6-2-5-7/h7,9H,1-6H2
InChIKey
HUNLAYAAWSTPQY-UHFFFAOYSA-N
Compound name
5-hydroxycyclooctan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

142.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 141.1
[M+Na]+ 165.08860 145.5
[M-H]- 141.09210 142.3
[M+NH4]+ 160.13320 150.6
[M+K]+ 181.06254 146.0
[M+H-H2O]+ 125.09664 138.1
[M+HCOO]- 187.09758 149.9
[M+CH3COO]- 201.11323 216.8
[M+Na-2H]- 163.07405 141.7
[M]+ 142.09883 138.9
[M]- 142.09993 138.9
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