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 138.8
[M+Na]+ 197.05730 148.4
[M-H]- 173.06080 140.8
[M+NH4]+ 192.10190 156.7
[M+K]+ 213.03124 144.7
[M+H-H2O]+ 157.06534 127.0
[M+HCOO]- 219.06628 156.7
[M+CH3COO]- 233.08193 186.8
[M+Na-2H]- 195.04275 143.7
[M]+ 174.06753 134.6
[M]- 174.06863 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.