CID 70594519

2,2,3-trimethyl-3-phenylcyclobutan-1-one

Structural Information

Molecular Formula
C13H16O
SMILES
CC1(C(=O)CC1(C)C2=CC=CC=C2)C
InChI
InChI=1S/C13H16O/c1-12(2)11(14)9-13(12,3)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey
NPZOKVBXEGNHEG-UHFFFAOYSA-N
Compound name
2,2,3-trimethyl-3-phenylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

188.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 139.3
[M+Na]+ 211.10934 147.8
[M-H]- 187.11284 147.0
[M+NH4]+ 206.15394 157.1
[M+K]+ 227.08328 148.0
[M+H-H2O]+ 171.11738 130.6
[M+HCOO]- 233.11832 161.5
[M+CH3COO]- 247.13397 187.5
[M+Na-2H]- 209.09479 146.0
[M]+ 188.11957 148.7
[M]- 188.12067 148.7
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.