CID 13380321

1-bromo-1-ethoxycyclopropane

Structural Information

Molecular Formula
C5H9BrO
SMILES
CCOC1(CC1)Br
InChI
InChI=1S/C5H9BrO/c1-2-7-5(6)3-4-5/h2-4H2,1H3
InChIKey
BKSPBKRLRIJAHF-UHFFFAOYSA-N
Compound name
1-bromo-1-ethoxycyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

163.98367 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.990946 127.6
[M+Na]+ 186.972888 141.3
[M-H]- 162.976394 135.4
[M+NH4]+ 182.017493 149.1
[M+K]+ 202.946828 132.2
[M+H-H2O]+ 146.980930 128.9
[M+HCOO]- 208.981871 149.6
[M+CH3COO]- 222.997521 178.9
[M+Na-2H]- 184.958336 137.7
[M]+ 163.98312142 149.1
[M]- 163.98421858 149.1
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