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]+ 205.08592 141.7
[M+Na]+ 227.06786 152.5
[M-H]- 203.07136 144.1
[M+NH4]+ 222.11246 159.0
[M+K]+ 243.04180 149.0
[M+H-H2O]+ 187.07590 129.9
[M+HCOO]- 249.07684 160.5
[M+CH3COO]- 263.09249 193.8
[M+Na-2H]- 225.05331 146.2
[M]+ 204.07809 140.6
[M]- 204.07919 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.