CID 53434262

3-(2,3-dihydro-1-benzofuran-5-yl)propanal

Structural Information

Molecular Formula
C11H12O2
SMILES
C1COC2=C1C=C(C=C2)CCC=O
InChI
InChI=1S/C11H12O2/c12-6-1-2-9-3-4-11-10(8-9)5-7-13-11/h3-4,6,8H,1-2,5,7H2
InChIKey
YEKHOGAHZACYAD-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1-benzofuran-5-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

176.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 135.7
[M+Na]+ 199.07294 144.0
[M-H]- 175.07644 140.8
[M+NH4]+ 194.11754 157.6
[M+K]+ 215.04688 142.5
[M+H-H2O]+ 159.08098 130.5
[M+HCOO]- 221.08192 158.6
[M+CH3COO]- 235.09757 179.3
[M+Na-2H]- 197.05839 142.8
[M]+ 176.08317 137.6
[M]- 176.08427 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