CID 13503216

4-(bromomethyl)piperidine hydrobromide

Structural Information

Molecular Formula
C6H12BrN
SMILES
C1CNCCC1CBr
InChI
InChI=1S/C6H12BrN/c7-5-6-1-3-8-4-2-6/h6,8H,1-5H2
InChIKey
UHEVNPHRPRHQGH-UHFFFAOYSA-N
Compound name
4-(bromomethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

177.0153 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.02258 132.8
[M+Na]+ 200.00452 141.3
[M-H]- 176.00802 135.5
[M+NH4]+ 195.04912 154.2
[M+K]+ 215.97846 130.8
[M+H-H2O]+ 160.01256 133.1
[M+HCOO]- 222.01350 149.0
[M+CH3COO]- 236.02915 174.6
[M+Na-2H]- 197.98997 140.1
[M]+ 177.01475 144.9
[M]- 177.01585 144.9
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