CID 78122470

15456-68-5

Structural Information

Molecular Formula
C12H20O2
SMILES
CCC=CCCCC1CCCC(=O)O1
InChI
InChI=1S/C12H20O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h3-4,11H,2,5-10H2,1H3
InChIKey
BUKJVTCSQFHXMZ-UHFFFAOYSA-N
Compound name
6-hept-4-enyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

33
Patents

196.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 146.6
[M+Na]+ 219.135548 151.3
[M-H]- 195.139054 149.6
[M+NH4]+ 214.180153 164.7
[M+K]+ 235.109488 150.1
[M+H-H2O]+ 179.143590 140.7
[M+HCOO]- 241.144531 165.8
[M+CH3COO]- 255.160181 184.3
[M+Na-2H]- 217.120996 150.6
[M]+ 196.14578142 145.7
[M]- 196.14687858 145.7
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.