CID 62385340

4-(tetrahydro-2h-pyran-4-yl)butan-2-one

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(=O)CCC1CCOCC1
InChI
InChI=1S/C9H16O2/c1-8(10)2-3-9-4-6-11-7-5-9/h9H,2-7H2,1H3
InChIKey
QTFXVXLLLFEZLT-UHFFFAOYSA-N
Compound name
4-(oxan-4-yl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 135.0
[M+Na]+ 179.10426 139.3
[M-H]- 155.10776 138.2
[M+NH4]+ 174.14886 154.3
[M+K]+ 195.07820 140.0
[M+H-H2O]+ 139.11230 129.4
[M+HCOO]- 201.11324 153.9
[M+CH3COO]- 215.12889 176.4
[M+Na-2H]- 177.08971 140.0
[M]+ 156.11449 132.7
[M]- 156.11559 132.7
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.