CID 75406591

1-(2-cyclobutylphenyl)ethan-1-one

Structural Information

Molecular Formula
C12H14O
SMILES
CC(=O)C1=CC=CC=C1C2CCC2
InChI
InChI=1S/C12H14O/c1-9(13)11-7-2-3-8-12(11)10-5-4-6-10/h2-3,7-8,10H,4-6H2,1H3
InChIKey
AEBUBWRTHXLFSL-UHFFFAOYSA-N
Compound name
1-(2-cyclobutylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

174.10446 Da
Monoisotopic Mass

3.1
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

literature stripe

Patent stripe

patents stripe