CID 138991372

Rac-(1r,2r)-1-bromo-2-methoxycyclobutane

Structural Information

Molecular Formula
C5H9BrO
SMILES
CO[C@@H]1CC[C@H]1Br
InChI
InChI=1S/C5H9BrO/c1-7-5-3-2-4(5)6/h4-5H,2-3H2,1H3/t4-,5-/m1/s1
InChIKey
IBHWRQVPBLZGPV-RFZPGFLSSA-N
Compound name
trans-(1R,2R)-1-bromo-2-methoxycyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.98367 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.990946 116.5
[M+Na]+ 186.972888 126.9
[M-H]- 162.976394 123.0
[M+NH4]+ 182.017493 134.9
[M+K]+ 202.946828 121.0
[M+H-H2O]+ 146.980930 113.3
[M+HCOO]- 208.981871 137.1
[M+CH3COO]- 222.997521 179.8
[M+Na-2H]- 184.958336 125.1
[M]+ 163.98312142 142.5
[M]- 163.98421858 142.5
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.