CID 67463764

3-(bromomethyl)-3-(methoxymethyl)oxetane

Structural Information

Molecular Formula
C6H11BrO2
SMILES
COCC1(COC1)CBr
InChI
InChI=1S/C6H11BrO2/c1-8-3-6(2-7)4-9-5-6/h2-5H2,1H3
InChIKey
IFPUCAPMHNKSFX-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-(methoxymethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

193.99425 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00153 122.3
[M+Na]+ 216.98347 132.1
[M-H]- 192.98697 129.3
[M+NH4]+ 212.02807 140.0
[M+K]+ 232.95741 127.4
[M+H-H2O]+ 176.99151 120.0
[M+HCOO]- 238.99245 142.1
[M+CH3COO]- 253.00810 182.8
[M+Na-2H]- 214.96892 133.1
[M]+ 193.99370 150.6
[M]- 193.99480 150.6
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