CID 69092741

(5-bromopentyl)cyclopropane

Structural Information

Molecular Formula
C8H15Br
SMILES
C1CC1CCCCCBr
InChI
InChI=1S/C8H15Br/c9-7-3-1-2-4-8-5-6-8/h8H,1-7H2
InChIKey
NBRVHAYNAMRQAS-UHFFFAOYSA-N
Compound name
5-bromopentylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.0357 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04298 137.7
[M+Na]+ 213.02492 149.7
[M-H]- 189.02842 144.6
[M+NH4]+ 208.06952 156.6
[M+K]+ 228.99886 138.8
[M+H-H2O]+ 173.03296 137.3
[M+HCOO]- 235.03390 159.0
[M+CH3COO]- 249.04955 185.7
[M+Na-2H]- 211.01037 145.3
[M]+ 190.03515 158.3
[M]- 190.03625 158.3
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