CID 167541

1-(4-methoxyphenyl)prop-2-yn-1-one

Structural Information

Molecular Formula
C10H8O2
SMILES
COC1=CC=C(C=C1)C(=O)C#C
InChI
InChI=1S/C10H8O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h1,4-7H,2H3
InChIKey
QVJCRRJXMMPQKP-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)prop-2-yn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

160.05243 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 132.4
[M+Na]+ 183.04165 145.2
[M+NH4]+ 178.08625 137.3
[M+K]+ 199.01559 136.1
[M-H]- 159.04515 126.2
[M+Na-2H]- 181.02710 136.4
[M]+ 160.05188 131.7
[M]- 160.05298 131.7
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