CID 567126

4-methyl-3-pent-2-enyloxolan-2-one

Structural Information

Molecular Formula
C10H16O2
SMILES
CCC=CCC1C(COC1=O)C
InChI
InChI=1S/C10H16O2/c1-3-4-5-6-9-8(2)7-12-10(9)11/h4-5,8-9H,3,6-7H2,1-2H3
InChIKey
MHAFEDCSWUVKOS-UHFFFAOYSA-N
Compound name
4-methyl-3-pent-2-enyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 137.3
[M+Na]+ 191.104258 144.8
[M-H]- 167.107764 141.3
[M+NH4]+ 186.148863 158.8
[M+K]+ 207.078198 143.9
[M+H-H2O]+ 151.112300 132.7
[M+HCOO]- 213.113241 159.3
[M+CH3COO]- 227.128891 179.0
[M+Na-2H]- 189.089706 140.6
[M]+ 168.11449142 138.2
[M]- 168.11558858 138.2
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.