CID 165506110

3-(2-bromoethyl)-1,1,2,2-tetramethylcyclopropane

Structural Information

Molecular Formula
C9H17Br
SMILES
CC1(C(C1(C)C)CCBr)C
InChI
InChI=1S/C9H17Br/c1-8(2)7(5-6-10)9(8,3)4/h7H,5-6H2,1-4H3
InChIKey
GMWZRMLTNXWWDF-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-1,1,2,2-tetramethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05136 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 136.1
[M+Na]+ 227.040578 150.5
[M-H]- 203.044084 144.3
[M+NH4]+ 222.085183 158.6
[M+K]+ 243.014518 140.9
[M+H-H2O]+ 187.048620 138.7
[M+HCOO]- 249.049561 156.4
[M+CH3COO]- 263.065211 189.7
[M+Na-2H]- 225.026026 144.4
[M]+ 204.05081142 158.8
[M]- 204.05190858 158.8
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.