CID 22066200

3-ethyl-3-(phenylmethoxymethyl)oxetane

Structural Information

Molecular Formula
C13H18O2
SMILES
CCC1(COC1)COCC2=CC=CC=C2
InChI
InChI=1S/C13H18O2/c1-2-13(10-15-11-13)9-14-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKey
DWFIEBGQPZWYND-UHFFFAOYSA-N
Compound name
3-ethyl-3-(phenylmethoxymethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1562
Patents

206.13068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 141.8
[M+Na]+ 229.11990 147.0
[M-H]- 205.12340 148.7
[M+NH4]+ 224.16450 154.9
[M+K]+ 245.09384 149.5
[M+H-H2O]+ 189.12794 131.1
[M+HCOO]- 251.12888 163.1
[M+CH3COO]- 265.14453 188.3
[M+Na-2H]- 227.10535 149.8
[M]+ 206.13013 152.7
[M]- 206.13123 152.7
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