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

13
Patents

168.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 133.6
[M+Na]+ 191.067858 142.1
[M-H]- 167.071364 138.0
[M+NH4]+ 186.112463 154.8
[M+K]+ 207.041798 142.3
[M+H-H2O]+ 151.075900 128.4
[M+HCOO]- 213.076841 158.8
[M+CH3COO]- 227.092491 177.7
[M+Na-2H]- 189.053306 139.9
[M]+ 168.07809142 138.8
[M]- 168.07918858 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