CID 10942745

3-methyl-3-phenylcyclobutan-1-one

Structural Information

Molecular Formula
C11H12O
SMILES
CC1(CC(=O)C1)C2=CC=CC=C2
InChI
InChI=1S/C11H12O/c1-11(7-10(12)8-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
NBKYQUHYCYKGAQ-UHFFFAOYSA-N
Compound name
3-methyl-3-phenylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

160.08882 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 129.9
[M+Na]+ 183.07804 137.4
[M-H]- 159.08154 137.1
[M+NH4]+ 178.12264 146.4
[M+K]+ 199.05198 138.0
[M+H-H2O]+ 143.08608 120.2
[M+HCOO]- 205.08702 152.7
[M+CH3COO]- 219.10267 180.8
[M+Na-2H]- 181.06349 137.4
[M]+ 160.08827 137.9
[M]- 160.08937 137.9
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