CID 11658299

Phenol, 2-(2-propyn-1-yl)-

Structural Information

Molecular Formula
C9H8O
SMILES
C#CCC1=CC=CC=C1O
InChI
InChI=1S/C9H8O/c1-2-5-8-6-3-4-7-9(8)10/h1,3-4,6-7,10H,5H2
InChIKey
ZHDGEEPULWOWON-UHFFFAOYSA-N
Compound name
2-prop-2-ynylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

132.05751 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06479 126.5
[M+Na]+ 155.04673 139.6
[M+NH4]+ 150.09133 132.0
[M+K]+ 171.02067 130.0
[M-H]- 131.05023 120.7
[M+Na-2H]- 153.03218 131.1
[M]+ 132.05696 126.0
[M]- 132.05806 126.0
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

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