CID 155822181

2551117-69-0

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]+ 205.05864 141.3
[M+Na]+ 227.04058 153.7
[M-H]- 203.04408 148.3
[M+NH4]+ 222.08518 159.9
[M+K]+ 243.01452 142.4
[M+H-H2O]+ 187.04862 140.8
[M+HCOO]- 249.04956 162.1
[M+CH3COO]- 263.06521 189.4
[M+Na-2H]- 225.02603 147.8
[M]+ 204.05081 162.5
[M]- 204.05191 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.