CID 15811386

Methyl 3-(4-acetylphenyl)prop-2-ynoate

Structural Information

Molecular Formula
C12H10O3
SMILES
CC(=O)C1=CC=C(C=C1)C#CC(=O)OC
InChI
InChI=1S/C12H10O3/c1-9(13)11-6-3-10(4-7-11)5-8-12(14)15-2/h3-4,6-7H,1-2H3
InChIKey
QYLPVADGULPPJA-UHFFFAOYSA-N
Compound name
methyl 3-(4-acetylphenyl)prop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.06299 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.07027 145.3
[M+Na]+ 225.05221 155.4
[M-H]- 201.05571 147.7
[M+NH4]+ 220.09681 162.4
[M+K]+ 241.02615 151.9
[M+H-H2O]+ 185.06025 133.6
[M+HCOO]- 247.06119 162.4
[M+CH3COO]- 261.07684 191.7
[M+Na-2H]- 223.03766 147.9
[M]+ 202.06244 141.8
[M]- 202.06354 141.8
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.