CID 11665545

Methyl 3-(3-methoxyphenyl)prop-2-ynoate

Structural Information

Molecular Formula
C11H10O3
SMILES
COC1=CC=CC(=C1)C#CC(=O)OC
InChI
InChI=1S/C11H10O3/c1-13-10-5-3-4-9(8-10)6-7-11(12)14-2/h3-5,8H,1-2H3
InChIKey
FVVPDJXVBMHTOK-UHFFFAOYSA-N
Compound name
methyl 3-(3-methoxyphenyl)prop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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 140.6
[M+Na]+ 213.05221 151.0
[M-H]- 189.05571 143.0
[M+NH4]+ 208.09681 158.3
[M+K]+ 229.02615 148.0
[M+H-H2O]+ 173.06025 128.9
[M+HCOO]- 235.06119 158.8
[M+CH3COO]- 249.07684 189.0
[M+Na-2H]- 211.03766 144.9
[M]+ 190.06244 138.0
[M]- 190.06354 138.0
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

patents stripe