CID 11819850

3-((benzyloxy)methyl)cyclobutanone

Structural Information

Molecular Formula
C12H14O2
SMILES
C1C(CC1=O)COCC2=CC=CC=C2
InChI
InChI=1S/C12H14O2/c13-12-6-11(7-12)9-14-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey
FHBBBGYOVFMVIB-UHFFFAOYSA-N
Compound name
3-(phenylmethoxymethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

190.09938 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 135.6
[M+Na]+ 213.08860 141.5
[M-H]- 189.09210 142.0
[M+NH4]+ 208.13320 148.8
[M+K]+ 229.06254 142.4
[M+H-H2O]+ 173.09664 124.3
[M+HCOO]- 235.09758 158.2
[M+CH3COO]- 249.11323 186.2
[M+Na-2H]- 211.07405 141.6
[M]+ 190.09883 144.9
[M]- 190.09993 144.9
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