CID 155820034

(1r,2r)-1-(2-bromoethyl)-2-ethylcyclopropane

Structural Information

Molecular Formula
C7H13Br
SMILES
CC[C@@H]1C[C@@H]1CCBr
InChI
InChI=1S/C7H13Br/c1-2-6-5-7(6)3-4-8/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKey
HVUNIVFDMCFMLH-RQJHMYQMSA-N
Compound name
(1R,2R)-1-(2-bromoethyl)-2-ethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

176.02007 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 122.8
[M+Na]+ 199.00929 127.1
[M+NH4]+ 194.05389 129.2
[M+K]+ 214.98323 128.0
[M-H]- 175.01279 129.2
[M+Na-2H]- 196.99474 128.5
[M]+ 176.01952 125.0
[M]- 176.02062 125.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.