CID 63358128

(1-bromohexyl)cyclopropane

Structural Information

Molecular Formula
C9H17Br
SMILES
CCCCCC(C1CC1)Br
InChI
InChI=1S/C9H17Br/c1-2-3-4-5-9(10)8-6-7-8/h8-9H,2-7H2,1H3
InChIKey
VXBZBFPNAOCQBY-UHFFFAOYSA-N
Compound name
1-bromohexylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.05136 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 142.2
[M+Na]+ 227.040578 153.5
[M-H]- 203.044084 149.0
[M+NH4]+ 222.085183 160.5
[M+K]+ 243.014518 142.6
[M+H-H2O]+ 187.048620 141.6
[M+HCOO]- 249.049561 162.2
[M+CH3COO]- 263.065211 189.1
[M+Na-2H]- 225.026026 148.1
[M]+ 204.05081142 162.5
[M]- 204.05190858 162.5
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

patents stripe