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

13
Patents

174.06808 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 133.0
[M+Na]+ 197.05730 144.0
[M-H]- 173.06080 139.4
[M+NH4]+ 192.10190 155.5
[M+K]+ 213.03124 142.7
[M+H-H2O]+ 157.06534 128.3
[M+HCOO]- 219.06628 157.8
[M+CH3COO]- 233.08193 180.8
[M+Na-2H]- 195.04275 140.2
[M]+ 174.06753 137.6
[M]- 174.06863 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