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

88
Patents

233.98917 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.996446 144.2
[M+Na]+ 256.978388 156.6
[M-H]- 232.981894 151.4
[M+NH4]+ 252.022993 162.8
[M+K]+ 272.952328 146.8
[M+H-H2O]+ 216.986430 145.0
[M+HCOO]- 278.987371 164.1
[M+CH3COO]- 293.003021 189.6
[M+Na-2H]- 254.963836 150.5
[M]+ 233.98862142 166.8
[M]- 233.98971858 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