CID 3070203

5-benzofuranol, 2,4,6,7-tetramethyl-

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1=CC2=C(O1)C(=C(C(=C2C)O)C)C
InChI
InChI=1S/C12H14O2/c1-6-5-10-9(4)11(13)7(2)8(3)12(10)14-6/h5,13H,1-4H3
InChIKey
LUBMXGPYYNNQKI-UHFFFAOYSA-N
Compound name
2,4,6,7-tetramethyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

190.09938 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.106656 137.7
[M+Na]+ 213.088598 150.6
[M-H]- 189.092104 143.6
[M+NH4]+ 208.133203 160.0
[M+K]+ 229.062538 148.3
[M+H-H2O]+ 173.096640 133.7
[M+HCOO]- 235.097581 161.5
[M+CH3COO]- 249.113231 184.8
[M+Na-2H]- 211.074046 143.2
[M]+ 190.09883142 143.4
[M]- 190.09992858 143.4
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

patents stripe