CID 208722

2-butyn-1-one, 4-methoxy-1-phenyl-

Structural Information

Molecular Formula
C11H10O2
SMILES
COCC#CC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H10O2/c1-13-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6-7H,9H2,1H3
InChIKey
WPALNQOQEFEBPU-UHFFFAOYSA-N
Compound name
4-methoxy-1-phenylbut-2-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06808 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 138.3
[M+Na]+ 197.05730 150.5
[M+NH4]+ 192.10190 143.0
[M+K]+ 213.03124 141.0
[M-H]- 173.06080 132.0
[M+Na-2H]- 195.04275 142.1
[M]+ 174.06753 137.4
[M]- 174.06863 137.4
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.