CID 19858323

6-cyclohexyl-4-methyl-2h-pyran-2-one

Structural Information

Molecular Formula
C12H16O2
SMILES
CC1=CC(=O)OC(=C1)C2CCCCC2
InChI
InChI=1S/C12H16O2/c1-9-7-11(14-12(13)8-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKey
GPKRKAFTZYODFF-UHFFFAOYSA-N
Compound name
6-cyclohexyl-4-methylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

192.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 140.2
[M+Na]+ 215.104258 146.9
[M-H]- 191.107764 147.4
[M+NH4]+ 210.148863 158.5
[M+K]+ 231.078198 145.7
[M+H-H2O]+ 175.112300 133.7
[M+HCOO]- 237.113241 160.8
[M+CH3COO]- 251.128891 182.6
[M+Na-2H]- 213.089706 146.0
[M]+ 192.11449142 137.9
[M]- 192.11558858 137.9
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