CID 85571121

5-methoxycyclooctan-1-one

Structural Information

Molecular Formula
C9H16O2
SMILES
COC1CCCC(=O)CCC1
InChI
InChI=1S/C9H16O2/c1-11-9-6-2-4-8(10)5-3-7-9/h9H,2-7H2,1H3
InChIKey
OPFIYPWATAEKCH-UHFFFAOYSA-N
Compound name
5-methoxycyclooctan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 143.9
[M+Na]+ 179.104258 148.2
[M-H]- 155.107764 145.6
[M+NH4]+ 174.148863 153.4
[M+K]+ 195.078198 149.0
[M+H-H2O]+ 139.112300 140.7
[M+HCOO]- 201.113241 153.2
[M+CH3COO]- 215.128891 219.3
[M+Na-2H]- 177.089706 144.3
[M]+ 156.11449142 142.6
[M]- 156.11558858 142.6
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.