CID 57699704

4-(3-bromopropyl)oxane

Structural Information

Molecular Formula
C8H15BrO
SMILES
C1COCCC1CCCBr
InChI
InChI=1S/C8H15BrO/c9-5-1-2-8-3-6-10-7-4-8/h8H,1-7H2
InChIKey
ISUJTGWHAHQUFJ-UHFFFAOYSA-N
Compound name
4-(3-bromopropyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

206.03062 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03790 141.3
[M+Na]+ 229.01984 149.4
[M-H]- 205.02334 147.0
[M+NH4]+ 224.06444 162.3
[M+K]+ 244.99378 140.7
[M+H-H2O]+ 189.02788 141.6
[M+HCOO]- 251.02882 158.8
[M+CH3COO]- 265.04447 182.0
[M+Na-2H]- 227.00529 148.7
[M]+ 206.03007 157.2
[M]- 206.03117 157.2
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