CID 21867833

3-ethyl-3-(phenoxymethyl)oxetane

Structural Information

Molecular Formula
C12H16O2
SMILES
CCC1(COC1)COC2=CC=CC=C2
InChI
InChI=1S/C12H16O2/c1-2-12(8-13-9-12)10-14-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKey
JUXZNIDKDPLYBY-UHFFFAOYSA-N
Compound name
3-ethyl-3-(phenoxymethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6526
Patents

192.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 137.1
[M+Na]+ 215.104258 142.7
[M-H]- 191.107764 144.2
[M+NH4]+ 210.148863 150.8
[M+K]+ 231.078198 145.4
[M+H-H2O]+ 175.112300 126.6
[M+HCOO]- 237.113241 158.7
[M+CH3COO]- 251.128891 185.4
[M+Na-2H]- 213.089706 145.7
[M]+ 192.11449142 147.6
[M]- 192.11558858 147.6
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