CID 64996090

2361635-26-7

Structural Information

Molecular Formula
C9H18BrN
SMILES
CC(CN1CCCCC1)CBr
InChI
InChI=1S/C9H18BrN/c1-9(7-10)8-11-5-3-2-4-6-11/h9H,2-8H2,1H3
InChIKey
MEKQJGGKSZDYQX-UHFFFAOYSA-N
Compound name
1-(3-bromo-2-methylpropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

219.06226 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.069536 146.0
[M+Na]+ 242.051478 153.6
[M-H]- 218.054984 149.7
[M+NH4]+ 237.096083 166.5
[M+K]+ 258.025418 143.6
[M+H-H2O]+ 202.059520 145.6
[M+HCOO]- 264.060461 161.8
[M+CH3COO]- 278.076111 186.3
[M+Na-2H]- 240.036926 151.0
[M]+ 219.06171142 160.4
[M]- 219.06280858 160.4
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