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]+ 177.027346 131.4
[M+Na]+ 199.009288 145.1
[M-H]- 175.012794 139.2
[M+NH4]+ 194.053893 152.8
[M+K]+ 214.983228 135.2
[M+H-H2O]+ 159.017330 132.7
[M+HCOO]- 221.018271 152.6
[M+CH3COO]- 235.033921 183.6
[M+Na-2H]- 196.994736 140.0
[M]+ 176.01952142 152.5
[M]- 176.02061858 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.