CID 12462547

2-(3-bromopropyl)oxirane

Structural Information

Molecular Formula
C5H9BrO
SMILES
C1C(O1)CCCBr
InChI
InChI=1S/C5H9BrO/c6-3-1-2-5-4-7-5/h5H,1-4H2
InChIKey
ZRRZAIJKJYIGIV-UHFFFAOYSA-N
Compound name
2-(3-bromopropyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

329
Patents

163.98367 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.990946 128.7
[M+Na]+ 186.972888 141.8
[M-H]- 162.976394 136.7
[M+NH4]+ 182.017493 147.3
[M+K]+ 202.946828 132.9
[M+H-H2O]+ 146.980930 128.4
[M+HCOO]- 208.981871 150.0
[M+CH3COO]- 222.997521 179.2
[M+Na-2H]- 184.958336 138.6
[M]+ 163.98312142 150.2
[M]- 163.98421858 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe