CID 165885625

4-ethynyl-2,6-dimethoxybenzaldehyde

Structural Information

Molecular Formula
C11H10O3
SMILES
COC1=CC(=CC(=C1C=O)OC)C#C
InChI
InChI=1S/C11H10O3/c1-4-8-5-10(13-2)9(7-12)11(6-8)14-3/h1,5-7H,2-3H3
InChIKey
MMBRIUUFXZHZRU-UHFFFAOYSA-N
Compound name
4-ethynyl-2,6-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.06299 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 136.7
[M+Na]+ 213.05221 148.7
[M-H]- 189.05571 139.7
[M+NH4]+ 208.09681 154.8
[M+K]+ 229.02615 145.6
[M+H-H2O]+ 173.06025 125.4
[M+HCOO]- 235.06119 155.8
[M+CH3COO]- 249.07684 192.2
[M+Na-2H]- 211.03766 141.2
[M]+ 190.06244 135.7
[M]- 190.06354 135.7
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

No patent data available for this compound.