CID 48373

66922-69-8

Structural Information

Molecular Formula
C10H10O4
SMILES
CC(=O)C1=CC2=C(C(=C1)OC)OCO2
InChI
InChI=1S/C10H10O4/c1-6(11)7-3-8(12-2)10-9(4-7)13-5-14-10/h3-4H,5H2,1-2H3
InChIKey
MLPLZAMGYMIKDU-UHFFFAOYSA-N
Compound name
1-(7-methoxy-1,3-benzodioxol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

194.0579 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 137.3
[M+Na]+ 217.047118 146.5
[M-H]- 193.050624 143.7
[M+NH4]+ 212.091723 157.3
[M+K]+ 233.021058 147.8
[M+H-H2O]+ 177.055160 132.6
[M+HCOO]- 239.056101 159.0
[M+CH3COO]- 253.071751 182.8
[M+Na-2H]- 215.032566 144.1
[M]+ 194.05735142 142.2
[M]- 194.05844858 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