CID 582912

1-ethynyl-2-methoxybenzene

Structural Information

Molecular Formula
C9H8O
SMILES
COC1=CC=CC=C1C#C
InChI
InChI=1S/C9H8O/c1-3-8-6-4-5-7-9(8)10-2/h1,4-7H,2H3
InChIKey
UFOVULIWACVAAC-UHFFFAOYSA-N
Compound name
1-ethynyl-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

838
Patents

132.05751 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06479 125.7
[M+Na]+ 155.04673 139.4
[M+NH4]+ 150.09133 131.6
[M+K]+ 171.02067 129.5
[M-H]- 131.05023 120.5
[M+Na-2H]- 153.03218 130.9
[M]+ 132.05696 125.5
[M]- 132.05806 125.5
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