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

9932
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 120.9
[M+Na]+ 143.04674 129.6
[M-H]- 119.05024 123.7
[M+NH4]+ 138.09134 142.9
[M+K]+ 159.02068 127.0
[M+H-H2O]+ 103.05478 116.2
[M+HCOO]- 165.05572 144.8
[M+CH3COO]- 179.07137 167.9
[M+Na-2H]- 141.03219 128.7
[M]+ 120.05697 119.7
[M]- 120.05807 119.7
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