CID 11436266

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

Structural Information

Molecular Formula
C8H11BrO3
SMILES
CCOC(=O)C1(CC1)C(=O)CBr
InChI
InChI=1S/C8H11BrO3/c1-2-12-7(11)8(3-4-8)6(10)5-9/h2-5H2,1H3
InChIKey
FCYVHOYOPMGATN-UHFFFAOYSA-N
Compound name
ethyl 1-(2-bromoacetyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

233.98917 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99645 144.2
[M+Na]+ 256.97839 156.6
[M-H]- 232.98189 151.4
[M+NH4]+ 252.02299 162.8
[M+K]+ 272.95233 146.8
[M+H-H2O]+ 216.98643 145.0
[M+HCOO]- 278.98737 164.1
[M+CH3COO]- 293.00302 189.6
[M+Na-2H]- 254.96384 150.5
[M]+ 233.98862 166.8
[M]- 233.98972 166.8
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