CID 10877193

2-furanbutanol

Structural Information

Molecular Formula
C8H12O2
SMILES
C1=COC(=C1)CCCCO
InChI
InChI=1S/C8H12O2/c9-6-2-1-4-8-5-3-7-10-8/h3,5,7,9H,1-2,4,6H2
InChIKey
KUGYYICTOVROHW-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

31
Patents

140.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 128.5
[M+Na]+ 163.07294 135.8
[M-H]- 139.07644 131.3
[M+NH4]+ 158.11754 150.0
[M+K]+ 179.04688 135.4
[M+H-H2O]+ 123.08098 123.6
[M+HCOO]- 185.08192 152.1
[M+CH3COO]- 199.09757 169.7
[M+Na-2H]- 161.05839 135.5
[M]+ 140.08317 130.3
[M]- 140.08427 130.3
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