CID 11521361

4-bromo-1-methylpiperidine

Structural Information

Molecular Formula
C6H12BrN
SMILES
CN1CCC(CC1)Br
InChI
InChI=1S/C6H12BrN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
InChIKey
RTEVQEDKZPFGNP-UHFFFAOYSA-N
Compound name
4-bromo-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

177.0153 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.02258 131.1
[M+Na]+ 200.00452 141.1
[M-H]- 176.00802 135.7
[M+NH4]+ 195.04912 153.6
[M+K]+ 215.97846 131.5
[M+H-H2O]+ 160.01256 131.5
[M+HCOO]- 222.01350 148.8
[M+CH3COO]- 236.02915 178.1
[M+Na-2H]- 197.98997 138.4
[M]+ 177.01475 145.5
[M]- 177.01585 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