CID 11745437

2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran

Structural Information

Molecular Formula
C13H18O
SMILES
CC1=CC(=C2CC(OC2=C1C)(C)C)C
InChI
InChI=1S/C13H18O/c1-8-6-9(2)11-7-13(4,5)14-12(11)10(8)3/h6H,7H2,1-5H3
InChIKey
YTVLAWLRJVKWCF-UHFFFAOYSA-N
Compound name
2,2,4,6,7-pentamethyl-3H-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

250
Patents

190.13577 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14305 139.7
[M+Na]+ 213.12499 150.7
[M-H]- 189.12849 146.0
[M+NH4]+ 208.16959 164.3
[M+K]+ 229.09893 148.9
[M+H-H2O]+ 173.13303 135.9
[M+HCOO]- 235.13397 161.5
[M+CH3COO]- 249.14962 187.2
[M+Na-2H]- 211.11044 145.1
[M]+ 190.13522 143.1
[M]- 190.13632 143.1
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