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

4
Patents

176.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 135.7
[M+Na]+ 199.072938 144.0
[M-H]- 175.076444 140.8
[M+NH4]+ 194.117543 157.6
[M+K]+ 215.046878 142.5
[M+H-H2O]+ 159.080980 130.5
[M+HCOO]- 221.081921 158.6
[M+CH3COO]- 235.097571 179.3
[M+Na-2H]- 197.058386 142.8
[M]+ 176.08317142 137.6
[M]- 176.08426858 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