CID 266588

Methyl 2-(1,3-dioxaindan-5-yl)acetate

Structural Information

Molecular Formula
C10H10O4
SMILES
COC(=O)CC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C10H10O4/c1-12-10(11)5-7-2-3-8-9(4-7)14-6-13-8/h2-4H,5-6H2,1H3
InChIKey
HEMYXNDMAAOTCK-UHFFFAOYSA-N
Compound name
methyl 2-(1,3-benzodioxol-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

194.0579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 137.9
[M+Na]+ 217.04712 146.2
[M-H]- 193.05062 143.9
[M+NH4]+ 212.09172 157.6
[M+K]+ 233.02106 147.5
[M+H-H2O]+ 177.05516 132.9
[M+HCOO]- 239.05610 159.6
[M+CH3COO]- 253.07175 180.9
[M+Na-2H]- 215.03257 145.3
[M]+ 194.05735 142.2
[M]- 194.05845 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe