CID 15608485

120046-45-9

Structural Information

Molecular Formula
C10H10O5
SMILES
COCOC1=C(C2=C(C=C1)OCO2)C=O
InChI
InChI=1S/C10H10O5/c1-12-5-13-8-2-3-9-10(7(8)4-11)15-6-14-9/h2-4H,5-6H2,1H3
InChIKey
NWWOEAKDDFHBGO-UHFFFAOYSA-N
Compound name
5-(methoxymethoxy)-1,3-benzodioxole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

210.05283 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06011 139.2
[M+Na]+ 233.04205 148.5
[M-H]- 209.04555 145.4
[M+NH4]+ 228.08665 158.5
[M+K]+ 249.01599 149.9
[M+H-H2O]+ 193.05009 134.2
[M+HCOO]- 255.05103 162.1
[M+CH3COO]- 269.06668 184.0
[M+Na-2H]- 231.02750 147.3
[M]+ 210.05228 146.2
[M]- 210.05338 146.2
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