CID 33109

4,7-dimethylbenzofuran

Structural Information

Molecular Formula
C10H10O
SMILES
CC1=C2C=COC2=C(C=C1)C
InChI
InChI=1S/C10H10O/c1-7-3-4-8(2)10-9(7)5-6-11-10/h3-6H,1-2H3
InChIKey
PFXVPEGRXODMIQ-UHFFFAOYSA-N
Compound name
4,7-dimethyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

146.07317 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08045 125.5
[M+Na]+ 169.06239 140.9
[M+NH4]+ 164.10699 136.1
[M+K]+ 185.03633 135.4
[M-H]- 145.06589 130.3
[M+Na-2H]- 167.04784 133.3
[M]+ 146.07262 129.3
[M]- 146.07372 129.3
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