CID 11768566

3-(furan-2-yl)propanal

Structural Information

Molecular Formula
C7H8O2
SMILES
C1=COC(=C1)CCC=O
InChI
InChI=1S/C7H8O2/c8-5-1-3-7-4-2-6-9-7/h2,4-6H,1,3H2
InChIKey
CARVUDNODWHOPP-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

148
Patents

124.05243 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.059706 121.7
[M+Na]+ 147.041648 130.3
[M-H]- 123.045154 126.1
[M+NH4]+ 142.086253 144.5
[M+K]+ 163.015588 130.5
[M+H-H2O]+ 107.049690 116.9
[M+HCOO]- 169.050631 147.4
[M+CH3COO]- 183.066281 168.5
[M+Na-2H]- 145.027096 129.8
[M]+ 124.05188142 124.4
[M]- 124.05297858 124.4
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