CID 23381567

2,2-dimethyl-1-(5-methylfuran-2-yl)propan-1-one

Structural Information

Molecular Formula
C10H14O2
SMILES
CC1=CC=C(O1)C(=O)C(C)(C)C
InChI
InChI=1S/C10H14O2/c1-7-5-6-8(12-7)9(11)10(2,3)4/h5-6H,1-4H3
InChIKey
UOKYXYGDGAXKJT-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1-(5-methylfuran-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

166.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 135.8
[M+Na]+ 189.08860 146.8
[M+NH4]+ 184.13320 143.7
[M+K]+ 205.06254 144.3
[M-H]- 165.09210 137.5
[M+Na-2H]- 187.07405 140.3
[M]+ 166.09883 137.8
[M]- 166.09993 137.8
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