CID 42799

58621-51-5

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1CC2=C(O1)C=CC(=C2)C(=O)C
InChI
InChI=1S/C11H12O2/c1-7-5-10-6-9(8(2)12)3-4-11(10)13-7/h3-4,6-7H,5H2,1-2H3
InChIKey
MORJCRDAGOARLY-UHFFFAOYSA-N
Compound name
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

176.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 135.8
[M+Na]+ 199.07294 148.4
[M+NH4]+ 194.11754 145.2
[M+K]+ 215.04688 144.3
[M-H]- 175.07644 139.3
[M+Na-2H]- 197.05839 140.6
[M]+ 176.08317 138.6
[M]- 176.08427 138.6
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