CID 151398

3,4-dihydroxystyrene

Structural Information

Molecular Formula
C8H8O2
SMILES
C=CC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C8H8O2/c1-2-6-3-4-7(9)8(10)5-6/h2-5,9-10H,1H2
InChIKey
FBTSUTGMWBDAAC-UHFFFAOYSA-N
Compound name
4-ethenylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

1502
Patents

136.05243 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05971 125.5
[M+Na]+ 159.04165 138.5
[M+NH4]+ 154.08625 133.8
[M+K]+ 175.01559 132.6
[M-H]- 135.04515 126.8
[M+Na-2H]- 157.02710 131.9
[M]+ 136.05188 127.6
[M]- 136.05298 127.6
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