CID 44222804

Ethyl 2-bromo-2-cyclopropylacetate

Structural Information

Molecular Formula
C7H11BrO2
SMILES
CCOC(=O)C(C1CC1)Br
InChI
InChI=1S/C7H11BrO2/c1-2-10-7(9)6(8)5-3-4-5/h5-6H,2-4H2,1H3
InChIKey
BTAPHOMYBWYDEU-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-2-cyclopropylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

205.99425 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00153 139.1
[M+Na]+ 228.98347 151.2
[M-H]- 204.98697 146.2
[M+NH4]+ 224.02807 157.1
[M+K]+ 244.95741 141.0
[M+H-H2O]+ 188.99151 138.7
[M+HCOO]- 250.99245 159.3
[M+CH3COO]- 265.00810 186.4
[M+Na-2H]- 226.96892 144.8
[M]+ 205.99370 160.1
[M]- 205.99480 160.1
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

patents stripe