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]+ 175.075356 138.8
[M+Na]+ 197.057298 148.4
[M-H]- 173.060804 140.8
[M+NH4]+ 192.101903 156.7
[M+K]+ 213.031238 144.7
[M+H-H2O]+ 157.065340 127.0
[M+HCOO]- 219.066281 156.7
[M+CH3COO]- 233.081931 186.8
[M+Na-2H]- 195.042746 143.7
[M]+ 174.06753142 134.6
[M]- 174.06862858 134.6
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.