CID 10013216

2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-ol

Structural Information

Molecular Formula
C13H18O2
SMILES
CC1=C(C2=C(CC(O2)(C)C)C(=C1O)C)C
InChI
InChI=1S/C13H18O2/c1-7-8(2)12-10(9(3)11(7)14)6-13(4,5)15-12/h14H,6H2,1-5H3
InChIKey
WOQBRTRMLPJSGR-UHFFFAOYSA-N
Compound name
2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

206.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 143.1
[M+Na]+ 229.119898 154.5
[M-H]- 205.123404 148.4
[M+NH4]+ 224.164503 166.6
[M+K]+ 245.093838 152.4
[M+H-H2O]+ 189.127940 139.8
[M+HCOO]- 251.128881 163.6
[M+CH3COO]- 265.144531 188.0
[M+Na-2H]- 227.105346 147.5
[M]+ 206.13013142 146.6
[M]- 206.13122858 146.6
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