CID 29736

19671-83-1

Structural Information

Molecular Formula
C12H14O3
SMILES
CCC1=CC(=C2C(=C1O)C(=C(O2)C)C)O
InChI
InChI=1S/C12H14O3/c1-4-8-5-9(13)12-10(11(8)14)6(2)7(3)15-12/h5,13-14H,4H2,1-3H3
InChIKey
YLTURFBJNZVQNF-UHFFFAOYSA-N
Compound name
5-ethyl-2,3-dimethyl-1-benzofuran-4,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 142.1
[M+Na]+ 229.08352 156.1
[M+NH4]+ 224.12812 150.4
[M+K]+ 245.05746 152.4
[M-H]- 205.08702 144.9
[M+Na-2H]- 227.06897 146.4
[M]+ 206.09375 145.0
[M]- 206.09485 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.