CID 2773286

4-(bromomethyl)oxane

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1COCCC1CBr
InChI
InChI=1S/C6H11BrO/c7-5-6-1-3-8-4-2-6/h6H,1-5H2
InChIKey
LMOOYAKLEOGKJR-UHFFFAOYSA-N
Compound name
4-(bromomethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1919
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 131.9
[M+Na]+ 200.98855 140.8
[M-H]- 176.99205 138.0
[M+NH4]+ 196.03315 154.0
[M+K]+ 216.96249 132.7
[M+H-H2O]+ 160.99659 132.7
[M+HCOO]- 222.99753 150.1
[M+CH3COO]- 237.01318 176.4
[M+Na-2H]- 198.97400 140.5
[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