CID 85577839

3,3-dimethyl-2-phenylcyclobutan-1-one

Structural Information

Molecular Formula
C12H14O
SMILES
CC1(CC(=O)C1C2=CC=CC=C2)C
InChI
InChI=1S/C12H14O/c1-12(2)8-10(13)11(12)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChIKey
VOPKZXHBZINPAK-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-phenylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10446 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 134.1
[M+Na]+ 197.09368 142.0
[M-H]- 173.09718 141.4
[M+NH4]+ 192.13828 150.4
[M+K]+ 213.06762 142.4
[M+H-H2O]+ 157.10172 124.4
[M+HCOO]- 219.10266 156.5
[M+CH3COO]- 233.11831 184.8
[M+Na-2H]- 195.07913 140.3
[M]+ 174.10391 142.8
[M]- 174.10501 142.8
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.