CID 23400

4-(furan-2-yl)butan-2-ol

Structural Information

Molecular Formula
C8H12O2
SMILES
CC(CCC1=CC=CO1)O
InChI
InChI=1S/C8H12O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6-7,9H,4-5H2,1H3
InChIKey
WJKRHTCMSSXHNV-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

140.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 128.9
[M+Na]+ 163.07294 139.6
[M+NH4]+ 158.11754 137.2
[M+K]+ 179.04688 136.4
[M-H]- 139.07644 130.9
[M+Na-2H]- 161.05839 133.6
[M]+ 140.08317 130.8
[M]- 140.08427 130.8
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