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
cis-(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]+ 177.027346 132.7
[M+Na]+ 199.009288 145.9
[M-H]- 175.012794 140.1
[M+NH4]+ 194.053893 152.3
[M+K]+ 214.983228 135.1
[M+H-H2O]+ 159.017330 132.6
[M+HCOO]- 221.018271 154.2
[M+CH3COO]- 235.033921 184.0
[M+Na-2H]- 196.994736 140.2
[M]+ 176.01952142 153.2
[M]- 176.02061858 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.