CID 19422225

5-butoxyfuran-2-carbaldehyde

Structural Information

Molecular Formula
C9H12O3
SMILES
CCCCOC1=CC=C(O1)C=O
InChI
InChI=1S/C9H12O3/c1-2-3-6-11-9-5-4-8(7-10)12-9/h4-5,7H,2-3,6H2,1H3
InChIKey
MKOPEOKHXIVNMO-UHFFFAOYSA-N
Compound name
5-butoxyfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

168.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 133.6
[M+Na]+ 191.06786 142.1
[M-H]- 167.07136 138.0
[M+NH4]+ 186.11246 154.8
[M+K]+ 207.04180 142.3
[M+H-H2O]+ 151.07590 128.4
[M+HCOO]- 213.07684 158.8
[M+CH3COO]- 227.09249 177.7
[M+Na-2H]- 189.05331 139.9
[M]+ 168.07809 138.8
[M]- 168.07919 138.8
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