CID 137045

3-phenylbut-2-en-1-ol

Structural Information

Molecular Formula
C10H12O
SMILES
CC(=CCO)C1=CC=CC=C1
InChI
InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3
InChIKey
GASLYRXUZSPLGV-UHFFFAOYSA-N
Compound name
3-phenylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

102
Patents

148.08882 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 132.2
[M+Na]+ 171.07804 144.8
[M+NH4]+ 166.12264 141.0
[M+K]+ 187.05198 137.9
[M-H]- 147.08154 134.2
[M+Na-2H]- 169.06349 139.2
[M]+ 148.08827 134.5
[M]- 148.08937 134.5
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