CID 18351319

Benzo[b]furan-3-ylacetaldehyde

Structural Information

Molecular Formula
C10H8O2
SMILES
C1=CC=C2C(=C1)C(=CO2)CC=O
InChI
InChI=1S/C10H8O2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,6-7H,5H2
InChIKey
IDIWXBHNEVHKCY-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

160.05243 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 128.0
[M+Na]+ 183.04165 138.9
[M-H]- 159.04515 134.1
[M+NH4]+ 178.08625 150.8
[M+K]+ 199.01559 137.3
[M+H-H2O]+ 143.04969 123.1
[M+HCOO]- 205.05063 154.3
[M+CH3COO]- 219.06628 175.8
[M+Na-2H]- 181.02710 137.7
[M]+ 160.05188 132.6
[M]- 160.05298 132.6
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