CID 138039653

2-(2-bromoethyl)-1,1-dimethylcyclopropane

Structural Information

Molecular Formula
C7H13Br
SMILES
CC1(CC1CCBr)C
InChI
InChI=1S/C7H13Br/c1-7(2)5-6(7)3-4-8/h6H,3-5H2,1-2H3
InChIKey
LXAZXHGXMGGAAA-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-1,1-dimethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.02007 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 131.4
[M+Na]+ 199.00929 145.1
[M-H]- 175.01279 139.2
[M+NH4]+ 194.05389 152.8
[M+K]+ 214.98323 135.2
[M+H-H2O]+ 159.01733 132.7
[M+HCOO]- 221.01827 152.6
[M+CH3COO]- 235.03392 183.6
[M+Na-2H]- 196.99474 140.0
[M]+ 176.01952 152.5
[M]- 176.02062 152.5
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.