CID 3017594

3,5-dimethoxy-4-(2-methoxyethoxy)benzaldehyde

Structural Information

Molecular Formula
C12H16O5
SMILES
COCCOC1=C(C=C(C=C1OC)C=O)OC
InChI
InChI=1S/C12H16O5/c1-14-4-5-17-12-10(15-2)6-9(8-13)7-11(12)16-3/h6-8H,4-5H2,1-3H3
InChIKey
HZEDXSOUEKTFMT-UHFFFAOYSA-N
Compound name
3,5-dimethoxy-4-(2-methoxyethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

240.09978 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10706 149.5
[M+Na]+ 263.08900 158.4
[M-H]- 239.09250 153.7
[M+NH4]+ 258.13360 167.8
[M+K]+ 279.06294 158.0
[M+H-H2O]+ 223.09704 143.1
[M+HCOO]- 285.09798 174.4
[M+CH3COO]- 299.11363 193.2
[M+Na-2H]- 261.07445 154.3
[M]+ 240.09923 158.3
[M]- 240.10033 158.3
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