CID 15329000

85607-71-2

Structural Information

Molecular Formula
C11H10O3
SMILES
COC1=C(C=CC(=C1)OCC#C)C=O
InChI
InChI=1S/C11H10O3/c1-3-6-14-10-5-4-9(8-12)11(7-10)13-2/h1,4-5,7-8H,6H2,2H3
InChIKey
KKEKQUFCHXYNCD-UHFFFAOYSA-N
Compound name
2-methoxy-4-prop-2-ynoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

190.06299 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 137.6
[M+Na]+ 213.05221 148.9
[M-H]- 189.05571 140.3
[M+NH4]+ 208.09681 155.5
[M+K]+ 229.02615 145.6
[M+H-H2O]+ 173.06025 126.1
[M+HCOO]- 235.06119 156.7
[M+CH3COO]- 249.07684 191.1
[M+Na-2H]- 211.03766 142.7
[M]+ 190.06244 136.3
[M]- 190.06354 136.3
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