CID 83613

Phenyl propargyl ether

Structural Information

Molecular Formula
C9H8O
SMILES
C#CCOC1=CC=CC=C1
InChI
InChI=1S/C9H8O/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H2
InChIKey
AIQRJSXKXVZCJO-UHFFFAOYSA-N
Compound name
prop-2-ynoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1371
Patents

132.05751 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06479 126.3
[M+Na]+ 155.04673 136.7
[M-H]- 131.05023 128.6
[M+NH4]+ 150.09133 145.9
[M+K]+ 171.02067 133.0
[M+H-H2O]+ 115.05477 115.0
[M+HCOO]- 177.05571 145.4
[M+CH3COO]- 191.07136 181.0
[M+Na-2H]- 153.03218 133.6
[M]+ 132.05696 121.7
[M]- 132.05806 121.7
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