CID 15250358

3-[(allyloxy)methyl]-3-ethyloxetane

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC1(COC1)COCC=C
InChI
InChI=1S/C9H16O2/c1-3-5-10-6-9(4-2)7-11-8-9/h3H,1,4-8H2,2H3
InChIKey
QOZLLNFAKXRSQL-UHFFFAOYSA-N
Compound name
3-ethyl-3-(prop-2-enoxymethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

398
Patents

156.11504 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 130.8
[M+Na]+ 179.10426 136.3
[M-H]- 155.10776 134.9
[M+NH4]+ 174.14886 146.2
[M+K]+ 195.07820 139.7
[M+H-H2O]+ 139.11230 122.1
[M+HCOO]- 201.11324 151.9
[M+CH3COO]- 215.12889 180.3
[M+Na-2H]- 177.08971 138.6
[M]+ 156.11449 142.1
[M]- 156.11559 142.1
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