CID 367175

Nsc636670

Structural Information

Molecular Formula
C13H14O5
SMILES
CCOC(=O)CC1COC2=C1C3=C(C=C2)OCO3
InChI
InChI=1S/C13H14O5/c1-2-15-11(14)5-8-6-16-9-3-4-10-13(12(8)9)18-7-17-10/h3-4,8H,2,5-7H2,1H3
InChIKey
IWSRYJBVMVDCBV-UHFFFAOYSA-N
Compound name
ethyl 2-(7,8-dihydrofuro[2,3-g][1,3]benzodioxol-8-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.08412 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09140 153.1
[M+Na]+ 273.07334 161.1
[M-H]- 249.07684 160.4
[M+NH4]+ 268.11794 171.9
[M+K]+ 289.04728 162.7
[M+H-H2O]+ 233.08138 149.5
[M+HCOO]- 295.08232 171.9
[M+CH3COO]- 309.09797 192.1
[M+Na-2H]- 271.05879 158.1
[M]+ 250.08357 159.0
[M]- 250.08467 159.0
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.