CID 22617257

116131-44-3

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1CC(COC1)CBr
InChI
InChI=1S/C6H11BrO/c7-4-6-2-1-3-8-5-6/h6H,1-5H2
InChIKey
ZLUWLWXZMXLDGO-UHFFFAOYSA-N
Compound name
3-(bromomethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

177.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.006606 131.9
[M+Na]+ 200.988548 140.8
[M-H]- 176.992054 138.0
[M+NH4]+ 196.033153 154.0
[M+K]+ 216.962488 132.7
[M+H-H2O]+ 160.996590 132.7
[M+HCOO]- 222.997531 150.1
[M+CH3COO]- 237.013181 176.4
[M+Na-2H]- 198.973996 140.5
[M]+ 177.99878142 147.2
[M]- 177.99987858 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