CID 15752626

(3-bromopropyl)cyclopentane

Structural Information

Molecular Formula
C8H15Br
SMILES
C1CCC(C1)CCCBr
InChI
InChI=1S/C8H15Br/c9-7-3-6-8-4-1-2-5-8/h8H,1-7H2
InChIKey
SPKXUEDYUGDPMH-UHFFFAOYSA-N
Compound name
3-bromopropylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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 141.3
[M+Na]+ 213.024918 150.7
[M-H]- 189.028424 146.8
[M+NH4]+ 208.069523 166.0
[M+K]+ 228.998858 140.6
[M+H-H2O]+ 173.032960 141.9
[M+HCOO]- 235.033901 161.5
[M+CH3COO]- 249.049551 180.2
[M+Na-2H]- 211.010366 146.5
[M]+ 190.03515142 157.2
[M]- 190.03624858 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe