CID 131518475

1-(bromomethyl)-1-methoxycyclopropane

Structural Information

Molecular Formula
C5H9BrO
SMILES
COC1(CC1)CBr
InChI
InChI=1S/C5H9BrO/c1-7-5(4-6)2-3-5/h2-4H2,1H3
InChIKey
MNAYACVQRWJUGK-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-methoxycyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.98367 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.