CID 3013921

3-vinylphenol

Structural Information

Molecular Formula
C8H8O
SMILES
C=CC1=CC(=CC=C1)O
InChI
InChI=1S/C8H8O/c1-2-7-4-3-5-8(9)6-7/h2-6,9H,1H2
InChIKey
YNGIFMKMDRDNBQ-UHFFFAOYSA-N
Compound name
3-ethenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9560
Patents

120.05752 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.06480 122.1
[M+Na]+ 143.04674 135.8
[M+NH4]+ 138.09134 131.5
[M+K]+ 159.02068 128.9
[M-H]- 119.05024 124.5
[M+Na-2H]- 141.03219 130.0
[M]+ 120.05697 124.7
[M]- 120.05807 124.7
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