CID 2734646

2,3-dimethylbenzofuran

Structural Information

Molecular Formula
C10H10O
SMILES
CC1=C(OC2=CC=CC=C12)C
InChI
InChI=1S/C10H10O/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3
InChIKey
YGBXXWTZWLALGR-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

823
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 125.4
[M+Na]+ 169.06239 137.0
[M-H]- 145.06589 131.9
[M+NH4]+ 164.10699 149.3
[M+K]+ 185.03633 135.5
[M+H-H2O]+ 129.07043 120.9
[M+HCOO]- 191.07137 151.2
[M+CH3COO]- 205.08702 141.8
[M+Na-2H]- 167.04784 134.4
[M]+ 146.07262 129.6
[M]- 146.07372 129.6
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