CID 2068120

428847-37-4

Structural Information

Molecular Formula
C12H12O3
SMILES
CCOC1=C(C=CC(=C1)C=O)OCC#C
InChI
InChI=1S/C12H12O3/c1-3-7-15-11-6-5-10(9-13)8-12(11)14-4-2/h1,5-6,8-9H,4,7H2,2H3
InChIKey
PODDLMWNBNRQJK-UHFFFAOYSA-N
Compound name
3-ethoxy-4-prop-2-ynoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

204.07864 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.085916 141.7
[M+Na]+ 227.067858 152.5
[M-H]- 203.071364 144.1
[M+NH4]+ 222.112463 159.0
[M+K]+ 243.041798 149.0
[M+H-H2O]+ 187.075900 129.9
[M+HCOO]- 249.076841 160.5
[M+CH3COO]- 263.092491 193.8
[M+Na-2H]- 225.053306 146.2
[M]+ 204.07809142 140.6
[M]- 204.07918858 140.6
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

No patent data available for this compound.