CID 20155

4187-87-5

Structural Information

Molecular Formula
C9H8O
SMILES
C#CC(C1=CC=CC=C1)O
InChI
InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H
InChIKey
UIGLAZDLBZDVBL-UHFFFAOYSA-N
Compound name
1-phenylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

1219
Patents

132.05751 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06479 129.3
[M+Na]+ 155.04673 139.0
[M-H]- 131.05023 130.4
[M+NH4]+ 150.09133 148.1
[M+K]+ 171.02067 134.9
[M+H-H2O]+ 115.05477 118.3
[M+HCOO]- 177.05571 146.1
[M+CH3COO]- 191.07136 179.2
[M+Na-2H]- 153.03218 134.7
[M]+ 132.05696 122.3
[M]- 132.05806 122.3
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