CID 11148063

3-(bromomethyl)-3-ethyloxetane

Structural Information

Molecular Formula
C6H11BrO
SMILES
CCC1(COC1)CBr
InChI
InChI=1S/C6H11BrO/c1-2-6(3-7)4-8-5-6/h2-5H2,1H3
InChIKey
RRRHGMRCVIZIRT-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-ethyloxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

177.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 120.2
[M+Na]+ 200.98855 130.2
[M-H]- 176.99205 127.2
[M+NH4]+ 196.03315 138.6
[M+K]+ 216.96249 125.0
[M+H-H2O]+ 160.99659 118.1
[M+HCOO]- 222.99753 139.7
[M+CH3COO]- 237.01318 181.0
[M+Na-2H]- 198.97400 131.0
[M]+ 177.99878 147.2
[M]- 177.99988 147.2
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