CID 28910029

16564-18-4

Structural Information

Molecular Formula
C11H10O2
SMILES
CC1=CC2=C(C=C1)C=C(O2)C(=O)C
InChI
InChI=1S/C11H10O2/c1-7-3-4-9-6-10(8(2)12)13-11(9)5-7/h3-6H,1-2H3
InChIKey
ZPLPPHUAGUDZJM-UHFFFAOYSA-N
Compound name
1-(6-methyl-1-benzofuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

174.06808 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.075356 133.0
[M+Na]+ 197.057298 144.0
[M-H]- 173.060804 139.4
[M+NH4]+ 192.101903 155.5
[M+K]+ 213.031238 142.7
[M+H-H2O]+ 157.065340 128.3
[M+HCOO]- 219.066281 157.8
[M+CH3COO]- 233.081931 180.8
[M+Na-2H]- 195.042746 140.2
[M]+ 174.06753142 137.6
[M]- 174.06862858 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe