CID 22392094

4-(prop-2-yn-1-yl)phenol

Structural Information

Molecular Formula
C9H8O
SMILES
C#CCC1=CC=C(C=C1)O
InChI
InChI=1S/C9H8O/c1-2-3-8-4-6-9(10)7-5-8/h1,4-7,10H,3H2
InChIKey
DVGWZXQOLABSCQ-UHFFFAOYSA-N
Compound name
4-prop-2-ynylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

132.05751 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe