CID 15468770

(3-ethynylphenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
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 127.3
[M+Na]+ 155.04673 138.1
[M-H]- 131.05023 128.8
[M+NH4]+ 150.09133 146.6
[M+K]+ 171.02067 133.8
[M+H-H2O]+ 115.05477 116.6
[M+HCOO]- 177.05571 145.1
[M+CH3COO]- 191.07136 179.5
[M+Na-2H]- 153.03218 133.5
[M]+ 132.05696 121.4
[M]- 132.05806 121.4
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