CID 53350307

3-bromo-1-methylpiperidine hydrobromide

Structural Information

Molecular Formula
C6H12BrN
SMILES
CN1CCCC(C1)Br
InChI
InChI=1S/C6H12BrN/c1-8-4-2-3-6(7)5-8/h6H,2-5H2,1H3
InChIKey
SPSSCLLGUVGJMB-UHFFFAOYSA-N
Compound name
3-bromo-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

177.0153 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.022576 131.1
[M+Na]+ 200.004518 141.1
[M-H]- 176.008024 135.7
[M+NH4]+ 195.049123 153.6
[M+K]+ 215.978458 131.5
[M+H-H2O]+ 160.012560 131.5
[M+HCOO]- 222.013501 148.8
[M+CH3COO]- 236.029151 178.1
[M+Na-2H]- 197.989966 138.4
[M]+ 177.01475142 145.5
[M]- 177.01584858 145.5
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