CID 67591

326-58-9

Structural Information

Molecular Formula
C9H8O4
SMILES
CC(=O)OC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C9H8O4/c1-6(10)13-7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3
InChIKey
QNJMUNKUQDDPCI-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

180.04225 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.049526 132.9
[M+Na]+ 203.031468 141.7
[M-H]- 179.034974 139.1
[M+NH4]+ 198.076073 153.2
[M+K]+ 219.005408 143.3
[M+H-H2O]+ 163.039510 128.2
[M+HCOO]- 225.040451 155.0
[M+CH3COO]- 239.056101 177.9
[M+Na-2H]- 201.016916 140.9
[M]+ 180.04170142 137.0
[M]- 180.04279858 137.0
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

patents stripe