CID 11332565

1-(furan-2-yl)-2,2-dimethylpropan-1-one

Structural Information

Molecular Formula
C9H12O2
SMILES
CC(C)(C)C(=O)C1=CC=CO1
InChI
InChI=1S/C9H12O2/c1-9(2,3)8(10)7-5-4-6-11-7/h4-6H,1-3H3
InChIKey
KUMBYTKNBWARAD-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

152.08372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 131.8
[M+Na]+ 175.07294 142.6
[M+NH4]+ 170.11754 139.9
[M+K]+ 191.04688 140.2
[M-H]- 151.07644 133.5
[M+Na-2H]- 173.05839 136.8
[M]+ 152.08317 133.8
[M]- 152.08427 133.8
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