CID 155822181

1-(5-bromopentyl)-2-methylcyclopropane

Structural Information

Molecular Formula
C9H17Br
SMILES
CC1CC1CCCCCBr
InChI
InChI=1S/C9H17Br/c1-8-7-9(8)5-3-2-4-6-10/h8-9H,2-7H2,1H3
InChIKey
MGGZVDMSOHKZNA-UHFFFAOYSA-N
Compound name
1-(5-bromopentyl)-2-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05136 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 141.3
[M+Na]+ 227.040578 153.7
[M-H]- 203.044084 148.3
[M+NH4]+ 222.085183 159.9
[M+K]+ 243.014518 142.4
[M+H-H2O]+ 187.048620 140.8
[M+HCOO]- 249.049561 162.1
[M+CH3COO]- 263.065211 189.4
[M+Na-2H]- 225.026026 147.8
[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

No patent data available for this compound.