CID 50998418

Methyl 1-bromocyclopropanecarboxylate

Structural Information

Molecular Formula
C5H7BrO2
SMILES
COC(=O)C1(CC1)Br
InChI
InChI=1S/C5H7BrO2/c1-8-4(7)5(6)2-3-5/h2-3H2,1H3
InChIKey
RESWQIUWQHUEAW-UHFFFAOYSA-N
Compound name
methyl 1-bromocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

177.96294 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97022 129.8
[M+Na]+ 200.95216 143.5
[M-H]- 176.95566 137.6
[M+NH4]+ 195.99676 150.7
[M+K]+ 216.92610 134.4
[M+H-H2O]+ 160.96020 131.1
[M+HCOO]- 222.96114 151.2
[M+CH3COO]- 236.97679 179.9
[M+Na-2H]- 198.93761 138.7
[M]+ 177.96239 151.3
[M]- 177.96349 151.3
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