CID 10607325

7-ethyl-1-benzofuran-2-carbaldehyde

Structural Information

Molecular Formula
C11H10O2
SMILES
CCC1=CC=CC2=C1OC(=C2)C=O
InChI
InChI=1S/C11H10O2/c1-2-8-4-3-5-9-6-10(7-12)13-11(8)9/h3-7H,2H2,1H3
InChIKey
XNGFDRRQNKFTFH-UHFFFAOYSA-N
Compound name
7-ethyl-1-benzofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

174.06808 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 132.5
[M+Na]+ 197.05730 143.8
[M-H]- 173.06080 138.8
[M+NH4]+ 192.10190 155.1
[M+K]+ 213.03124 142.0
[M+H-H2O]+ 157.06534 127.7
[M+HCOO]- 219.06628 158.3
[M+CH3COO]- 233.08193 179.9
[M+Na-2H]- 195.04275 140.9
[M]+ 174.06753 137.8
[M]- 174.06863 137.8
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