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

11
Patents

218.13068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 146.5
[M+Na]+ 241.11990 153.3
[M-H]- 217.12340 153.4
[M+NH4]+ 236.16450 160.9
[M+K]+ 257.09384 153.9
[M+H-H2O]+ 201.12794 136.1
[M+HCOO]- 263.12888 168.4
[M+CH3COO]- 277.14453 192.6
[M+Na-2H]- 239.10535 151.6
[M]+ 218.13013 157.2
[M]- 218.13123 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