CID 66468864

3-(1-bromoethyl)oxane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CC(C1CCCOC1)Br
InChI
InChI=1S/C7H13BrO/c1-6(8)7-3-2-4-9-5-7/h6-7H,2-5H2,1H3
InChIKey
NDQYGDYNCDEWGC-UHFFFAOYSA-N
Compound name
3-(1-bromoethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.01498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 137.4
[M+Na]+ 215.00420 145.7
[M-H]- 191.00770 143.4
[M+NH4]+ 210.04880 158.9
[M+K]+ 230.97814 137.6
[M+H-H2O]+ 175.01224 138.0
[M+HCOO]- 237.01318 154.3
[M+CH3COO]- 251.02883 180.0
[M+Na-2H]- 212.98965 144.2
[M]+ 192.01443 152.4
[M]- 192.01553 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

No patent data available for this compound.