CID 84654944

1-(4-cyclobutylphenyl)ethan-1-one

Structural Information

Molecular Formula
C12H14O
SMILES
CC(=O)C1=CC=C(C=C1)C2CCC2
InChI
InChI=1S/C12H14O/c1-9(13)10-5-7-12(8-6-10)11-3-2-4-11/h5-8,11H,2-4H2,1H3
InChIKey
KIDXPQGKCCFELF-UHFFFAOYSA-N
Compound name
1-(4-cyclobutylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10446 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 134.5
[M+Na]+ 197.09368 140.2
[M-H]- 173.09718 141.0
[M+NH4]+ 192.13828 148.3
[M+K]+ 213.06762 141.1
[M+H-H2O]+ 157.10172 123.4
[M+HCOO]- 219.10266 155.9
[M+CH3COO]- 233.11831 185.0
[M+Na-2H]- 195.07913 139.1
[M]+ 174.10391 141.8
[M]- 174.10501 141.8
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.