CID 80302650

1-(1-methylcyclopropyl)-3-phenylpropane-1,3-dione

Structural Information

Molecular Formula
C13H14O2
SMILES
CC1(CC1)C(=O)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H14O2/c1-13(7-8-13)12(15)9-11(14)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey
VROSZUDQONYAAF-UHFFFAOYSA-N
Compound name
1-(1-methylcyclopropyl)-3-phenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10666 148.8
[M+Na]+ 225.08860 162.3
[M+NH4]+ 220.13320 158.9
[M+K]+ 241.06254 155.6
[M-H]- 201.09210 158.6
[M+Na-2H]- 223.07405 159.7
[M]+ 202.09883 154.8
[M]- 202.09993 154.8
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

No patent data available for this compound.