CID 66469460

4-(1-bromoethyl)oxane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC(C1CCOCC1)Br
InChI
InChI=1S/C7H13BrO/c1-6(8)7-2-4-9-5-3-7/h6-7H,2-5H2,1H3
InChIKey
WDRQHIKCGHXQRX-UHFFFAOYSA-N
Compound name
4-(1-bromoethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

192.01498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 137.4
[M+Na]+ 215.004198 145.7
[M-H]- 191.007704 143.4
[M+NH4]+ 210.048803 158.9
[M+K]+ 230.978138 137.6
[M+H-H2O]+ 175.012240 138.0
[M+HCOO]- 237.013181 154.3
[M+CH3COO]- 251.028831 180.0
[M+Na-2H]- 212.989646 144.2
[M]+ 192.01443142 152.4
[M]- 192.01552858 152.4
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