CID 18723178

4-(3-bromopropyl)-1-methylpiperidine hydrobromide

Structural Information

Molecular Formula
C9H18BrN
SMILES
CN1CCC(CC1)CCCBr
InChI
InChI=1S/C9H18BrN/c1-11-7-4-9(5-8-11)3-2-6-10/h9H,2-8H2,1H3
InChIKey
FNWPOPAMZMTHFH-UHFFFAOYSA-N
Compound name
4-(3-bromopropyl)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

219.06226 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.069536 144.9
[M+Na]+ 242.051478 153.5
[M-H]- 218.054984 148.8
[M+NH4]+ 237.096083 165.8
[M+K]+ 258.025418 143.1
[M+H-H2O]+ 202.059520 144.6
[M+HCOO]- 264.060461 161.6
[M+CH3COO]- 278.076111 186.6
[M+Na-2H]- 240.036926 150.4
[M]+ 219.06171142 160.2
[M]- 219.06280858 160.2
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