CID 126970265

3-[(benzyloxy)methyl]-2,2-dimethylcyclobutan-1-one

Structural Information

Molecular Formula
C14H18O2
SMILES
CC1(C(CC1=O)COCC2=CC=CC=C2)C
InChI
InChI=1S/C14H18O2/c1-14(2)12(8-13(14)15)10-16-9-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKey
RHQCDCBWHHVVRC-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.13068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 146.5
[M+Na]+ 241.119898 153.3
[M-H]- 217.123404 153.4
[M+NH4]+ 236.164503 160.9
[M+K]+ 257.093838 153.9
[M+H-H2O]+ 201.127940 136.1
[M+HCOO]- 263.128881 168.4
[M+CH3COO]- 277.144531 192.6
[M+Na-2H]- 239.105346 151.6
[M]+ 218.13013142 157.2
[M]- 218.13122858 157.2
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

patents stripe