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

319
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.