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]+ 191.042976 137.7
[M+Na]+ 213.024918 149.7
[M-H]- 189.028424 144.6
[M+NH4]+ 208.069523 156.6
[M+K]+ 228.998858 138.8
[M+H-H2O]+ 173.032960 137.3
[M+HCOO]- 235.033901 159.0
[M+CH3COO]- 249.049551 185.7
[M+Na-2H]- 211.010366 145.3
[M]+ 190.03515142 158.3
[M]- 190.03624858 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