CID 81395

P-cumenyl cyclopropyl ketone

Structural Information

Molecular Formula
C13H16O
SMILES
CC(C)C1=CC=C(C=C1)C(=O)C2CC2
InChI
InChI=1S/C13H16O/c1-9(2)10-3-5-11(6-4-10)13(14)12-7-8-12/h3-6,9,12H,7-8H2,1-2H3
InChIKey
CMKCTUAFZPHYTE-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-propan-2-ylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

188.12012 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.127396 139.2
[M+Na]+ 211.109338 147.5
[M-H]- 187.112844 146.8
[M+NH4]+ 206.153943 154.2
[M+K]+ 227.083278 144.8
[M+H-H2O]+ 171.117380 132.7
[M+HCOO]- 233.118321 161.6
[M+CH3COO]- 247.133971 189.0
[M+Na-2H]- 209.094786 143.1
[M]+ 188.11957142 141.6
[M]- 188.12066858 141.6
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