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

19
Patents

190.06299 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 137.6
[M+Na]+ 213.052208 148.9
[M-H]- 189.055714 140.3
[M+NH4]+ 208.096813 155.5
[M+K]+ 229.026148 145.6
[M+H-H2O]+ 173.060250 126.1
[M+HCOO]- 235.061191 156.7
[M+CH3COO]- 249.076841 191.1
[M+Na-2H]- 211.037656 142.7
[M]+ 190.06244142 136.3
[M]- 190.06353858 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