CID 87680

6-hexyl-3,4-dihydro-2h-pyran-2-one

Structural Information

Molecular Formula
C11H18O2
SMILES
CCCCCCC1=CCCC(=O)O1
InChI
InChI=1S/C11H18O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h8H,2-7,9H2,1H3
InChIKey
JSMWNZYOWCIYJK-UHFFFAOYSA-N
Compound name
6-hexyl-3,4-dihydropyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 141.3
[M+Na]+ 205.119898 147.1
[M-H]- 181.123404 144.9
[M+NH4]+ 200.164503 160.1
[M+K]+ 221.093838 146.6
[M+H-H2O]+ 165.127940 135.5
[M+HCOO]- 227.128881 162.1
[M+CH3COO]- 241.144531 182.3
[M+Na-2H]- 203.105346 146.9
[M]+ 182.13013142 142.3
[M]- 182.13122858 142.3
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.