CID 66366390

3-(benzyloxy)-2,2-dimethylcyclobutan-1-one

Structural Information

Molecular Formula
C13H16O2
SMILES
CC1(C(CC1=O)OCC2=CC=CC=C2)C
InChI
InChI=1S/C13H16O2/c1-13(2)11(14)8-12(13)15-9-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKey
OQYCKJLAKYHLTP-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

204.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 141.8
[M+Na]+ 227.10426 149.1
[M-H]- 203.10776 148.9
[M+NH4]+ 222.14886 156.8
[M+K]+ 243.07820 149.9
[M+H-H2O]+ 187.11230 131.6
[M+HCOO]- 249.11324 164.1
[M+CH3COO]- 263.12889 189.7
[M+Na-2H]- 225.08971 147.5
[M]+ 204.11449 152.2
[M]- 204.11559 152.2
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