CID 155820034

Rac-(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

0
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 132.7
[M+Na]+ 199.00929 145.9
[M-H]- 175.01279 140.1
[M+NH4]+ 194.05389 152.3
[M+K]+ 214.98323 135.1
[M+H-H2O]+ 159.01733 132.6
[M+HCOO]- 221.01827 154.2
[M+CH3COO]- 235.03392 184.0
[M+Na-2H]- 196.99474 140.2
[M]+ 176.01952 153.2
[M]- 176.02062 153.2
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

No patent data available for this compound.