CID 14406225

3-(4-tert-butylphenyl)cyclobutan-1-one

Structural Information

Molecular Formula
C14H18O
SMILES
CC(C)(C)C1=CC=C(C=C1)C2CC(=O)C2
InChI
InChI=1S/C14H18O/c1-14(2,3)12-6-4-10(5-7-12)11-8-13(15)9-11/h4-7,11H,8-9H2,1-3H3
InChIKey
POGAHXIDSVHLMO-UHFFFAOYSA-N
Compound name
3-(4-tert-butylphenyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

202.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.143046 142.9
[M+Na]+ 225.124988 149.5
[M-H]- 201.128494 149.7
[M+NH4]+ 220.169593 156.2
[M+K]+ 241.098928 149.9
[M+H-H2O]+ 185.133030 132.4
[M+HCOO]- 247.133971 163.1
[M+CH3COO]- 261.149621 190.8
[M+Na-2H]- 223.110436 147.7
[M]+ 202.13522142 151.4
[M]- 202.13631858 151.4
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