CID 165665240

Methyl4-ethynyl-2-methoxybenzoate

Structural Information

Molecular Formula
C11H10O3
SMILES
COC1=C(C=CC(=C1)C#C)C(=O)OC
InChI
InChI=1S/C11H10O3/c1-4-8-5-6-9(11(12)14-3)10(7-8)13-2/h1,5-7H,2-3H3
InChIKey
BOXIXCGXSVYZHD-UHFFFAOYSA-N
Compound name
methyl 4-ethynyl-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.06299 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 138.9
[M+Na]+ 213.05221 150.0
[M-H]- 189.05571 141.6
[M+NH4]+ 208.09681 156.7
[M+K]+ 229.02615 147.1
[M+H-H2O]+ 173.06025 127.4
[M+HCOO]- 235.06119 157.1
[M+CH3COO]- 249.07684 191.3
[M+Na-2H]- 211.03766 142.7
[M]+ 190.06244 136.9
[M]- 190.06354 136.9
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.