CID 152612081

4-(2-bromopropyl)oxane

Structural Information

Molecular Formula
C8H15BrO
SMILES
CC(CC1CCOCC1)Br
InChI
InChI=1S/C8H15BrO/c1-7(9)6-8-2-4-10-5-3-8/h7-8H,2-6H2,1H3
InChIKey
YZSVBNSSVFCQKB-UHFFFAOYSA-N
Compound name
4-(2-bromopropyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03790 142.1
[M+Na]+ 229.01984 150.0
[M-H]- 205.02334 147.9
[M+NH4]+ 224.06444 163.1
[M+K]+ 244.99378 141.7
[M+H-H2O]+ 189.02788 142.5
[M+HCOO]- 251.02882 158.7
[M+CH3COO]- 265.04447 182.8
[M+Na-2H]- 227.00529 148.3
[M]+ 206.03007 157.5
[M]- 206.03117 157.5
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.