CID 557292

2-furanacetaldehyde, .alpha.-propyl-

Structural Information

Molecular Formula
C9H12O2
SMILES
CCCC(C=O)C1=CC=CO1
InChI
InChI=1S/C9H12O2/c1-2-4-8(7-10)9-5-3-6-11-9/h3,5-8H,2,4H2,1H3
InChIKey
VABVMGKHVDVOBI-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)pentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 132.1
[M+Na]+ 175.072938 139.5
[M-H]- 151.076444 136.3
[M+NH4]+ 170.117543 153.7
[M+K]+ 191.046878 139.6
[M+H-H2O]+ 135.080980 127.0
[M+HCOO]- 197.081921 156.1
[M+CH3COO]- 211.097571 175.4
[M+Na-2H]- 173.058386 137.8
[M]+ 152.08317142 134.9
[M]- 152.08426858 134.9
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

No patent data available for this compound.