CID 42609566

Methyl 1-(2-bromoacetyl)cyclopropane-1-carboxylate

Structural Information

Molecular Formula
C7H9BrO3
SMILES
COC(=O)C1(CC1)C(=O)CBr
InChI
InChI=1S/C7H9BrO3/c1-11-6(10)7(2-3-7)5(9)4-8/h2-4H2,1H3
InChIKey
KEMXNFRNLLUGPL-UHFFFAOYSA-N
Compound name
methyl 1-(2-bromoacetyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

219.97351 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.98079 139.9
[M+Na]+ 242.96273 152.8
[M-H]- 218.96623 147.4
[M+NH4]+ 238.00733 159.0
[M+K]+ 258.93667 143.2
[M+H-H2O]+ 202.97077 140.9
[M+HCOO]- 264.97171 160.1
[M+CH3COO]- 278.98736 187.0
[M+Na-2H]- 240.94818 146.7
[M]+ 219.97296 162.2
[M]- 219.97406 162.2
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

patents stripe