CID 3024599

Einecs 306-194-6

Structural Information

Molecular Formula
C10H16O4
SMILES
CCOC1CC(OC1=O)(C)OCC=C
InChI
InChI=1S/C10H16O4/c1-4-6-13-10(3)7-8(12-5-2)9(11)14-10/h4,8H,1,5-7H2,2-3H3
InChIKey
AORWDAQGWDBNFZ-UHFFFAOYSA-N
Compound name
3-ethoxy-5-methyl-5-prop-2-enoxyoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 140.4
[M+Na]+ 223.094078 148.5
[M-H]- 199.097584 144.6
[M+NH4]+ 218.138683 162.4
[M+K]+ 239.068018 148.8
[M+H-H2O]+ 183.102120 136.5
[M+HCOO]- 245.103061 162.8
[M+CH3COO]- 259.118711 183.4
[M+Na-2H]- 221.079526 145.3
[M]+ 200.10431142 144.7
[M]- 200.10540858 144.7
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.