CID 13205488

5-butylfuran-2-carbaldehyde

Structural Information

Molecular Formula
C9H12O2
SMILES
CCCCC1=CC=C(O1)C=O
InChI
InChI=1S/C9H12O2/c1-2-3-4-8-5-6-9(7-10)11-8/h5-7H,2-4H2,1H3
InChIKey
VONUIGQUEZWAQQ-UHFFFAOYSA-N
Compound name
5-butylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

152.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 130.6
[M+Na]+ 175.072938 139.2
[M-H]- 151.076444 135.0
[M+NH4]+ 170.117543 152.6
[M+K]+ 191.046878 138.9
[M+H-H2O]+ 135.080980 125.7
[M+HCOO]- 197.081921 155.6
[M+CH3COO]- 211.097571 175.6
[M+Na-2H]- 173.058386 136.9
[M]+ 152.08317142 134.4
[M]- 152.08426858 134.4
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