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]+ 191.10666 137.7
[M+Na]+ 213.08860 150.6
[M-H]- 189.09210 143.6
[M+NH4]+ 208.13320 160.0
[M+K]+ 229.06254 148.3
[M+H-H2O]+ 173.09664 133.7
[M+HCOO]- 235.09758 161.5
[M+CH3COO]- 249.11323 184.8
[M+Na-2H]- 211.07405 143.2
[M]+ 190.09883 143.4
[M]- 190.09993 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