CID 441226

3-vinylcatechol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

535
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 124.4
[M+Na]+ 159.04165 133.6
[M-H]- 135.04515 126.2
[M+NH4]+ 154.08625 145.4
[M+K]+ 175.01559 130.6
[M+H-H2O]+ 119.04969 120.0
[M+HCOO]- 181.05063 147.0
[M+CH3COO]- 195.06628 168.4
[M+Na-2H]- 157.02710 130.9
[M]+ 136.05188 123.2
[M]- 136.05298 123.2
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