CID 10855595

1-hydroxyoctan-2-one

Structural Information

Molecular Formula
C8H16O2
SMILES
CCCCCCC(=O)CO
InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-8(10)7-9/h9H,2-7H2,1H3
InChIKey
OGCKUGCNRAHIPG-UHFFFAOYSA-N
Compound name
1-hydroxyoctan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

156
Patents

144.11504 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 133.8
[M+Na]+ 167.10426 139.8
[M-H]- 143.10776 132.4
[M+NH4]+ 162.14886 154.7
[M+K]+ 183.07820 138.9
[M+H-H2O]+ 127.11230 129.2
[M+HCOO]- 189.11324 155.1
[M+CH3COO]- 203.12889 174.4
[M+Na-2H]- 165.08971 138.0
[M]+ 144.11449 135.4
[M]- 144.11559 135.4
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