CID 12757500

1-(1-phenylcyclobutyl)ethanone

Structural Information

Molecular Formula
C12H14O
SMILES
CC(=O)C1(CCC1)C2=CC=CC=C2
InChI
InChI=1S/C12H14O/c1-10(13)12(8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKey
BOTZEZSQGAVDGN-UHFFFAOYSA-N
Compound name
1-(1-phenylcyclobutyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

174.10446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 136.9
[M+Na]+ 197.09368 142.6
[M-H]- 173.09718 143.5
[M+NH4]+ 192.13828 152.4
[M+K]+ 213.06762 143.5
[M+H-H2O]+ 157.10172 126.6
[M+HCOO]- 219.10266 158.3
[M+CH3COO]- 233.11831 183.5
[M+Na-2H]- 195.07913 143.0
[M]+ 174.10391 144.1
[M]- 174.10501 144.1
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