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]+ 164.99095 127.6
[M+Na]+ 186.97289 141.3
[M-H]- 162.97639 135.4
[M+NH4]+ 182.01749 149.1
[M+K]+ 202.94683 132.2
[M+H-H2O]+ 146.98093 128.9
[M+HCOO]- 208.98187 149.6
[M+CH3COO]- 222.99752 178.9
[M+Na-2H]- 184.95834 137.7
[M]+ 163.98312 149.1
[M]- 163.98422 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.