CID 122235771

32728-88-4

Structural Information

Molecular Formula
C7H13Br
SMILES
CC(C)(C)[C@@H]1C[C@H]1Br
InChI
InChI=1S/C7H13Br/c1-7(2,3)5-4-6(5)8/h5-6H,4H2,1-3H3/t5-,6-/m1/s1
InChIKey
TZLAVHKVJGZQJP-PHDIDXHHSA-N
Compound name
(1R,2S)-1-bromo-2-tert-butylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.02007 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 133.3
[M+Na]+ 199.00929 146.9
[M-H]- 175.01279 141.0
[M+NH4]+ 194.05389 153.1
[M+K]+ 214.98323 136.4
[M+H-H2O]+ 159.01733 133.8
[M+HCOO]- 221.01827 153.4
[M+CH3COO]- 235.03392 183.6
[M+Na-2H]- 196.99474 141.3
[M]+ 176.01952 153.4
[M]- 176.02062 153.4
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.