CID 23000753

(bromomethyl)cycloheptane

Structural Information

Molecular Formula
C8H15Br
SMILES
C1CCCC(CC1)CBr
InChI
InChI=1S/C8H15Br/c9-7-8-5-3-1-2-4-6-8/h8H,1-7H2
InChIKey
ZPGBMJCYYSEZBK-UHFFFAOYSA-N
Compound name
bromomethylcycloheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
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 132.1
[M+Na]+ 213.024918 138.3
[M-H]- 189.028424 138.1
[M+NH4]+ 208.069523 153.4
[M+K]+ 228.998858 132.5
[M+H-H2O]+ 173.032960 133.3
[M+HCOO]- 235.033901 149.6
[M+CH3COO]- 249.049551 182.5
[M+Na-2H]- 211.010366 138.5
[M]+ 190.03515142 142.3
[M]- 190.03624858 142.3
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