CID 11170993

(4-ethynylphenyl)methanol

Structural Information

Molecular Formula
C9H8O
SMILES
C#CC1=CC=C(C=C1)CO
InChI
InChI=1S/C9H8O/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6,10H,7H2
InChIKey
QCZORVSTESPHCO-UHFFFAOYSA-N
Compound name
(4-ethynylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

657
Patents

132.05751 Da
Monoisotopic Mass

1.5
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

patents stripe