CID 165506110

En300-1291087

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]+ 205.05864 136.1
[M+Na]+ 227.04058 150.5
[M-H]- 203.04408 144.3
[M+NH4]+ 222.08518 158.6
[M+K]+ 243.01452 140.9
[M+H-H2O]+ 187.04862 138.7
[M+HCOO]- 249.04956 156.4
[M+CH3COO]- 263.06521 189.7
[M+Na-2H]- 225.02603 144.4
[M]+ 204.05081 158.8
[M]- 204.05191 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.