CID 13363918

1-(2-bromoethyl)-4-methylpiperidine hydrobromide

Structural Information

Molecular Formula
C8H16BrN
SMILES
CC1CCN(CC1)CCBr
InChI
InChI=1S/C8H16BrN/c1-8-2-5-10(6-3-8)7-4-9/h8H,2-7H2,1H3
InChIKey
QAXBPSGVWYTKEV-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04662 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05390 140.3
[M+Na]+ 228.03584 149.4
[M-H]- 204.03934 144.4
[M+NH4]+ 223.08044 161.7
[M+K]+ 244.00978 139.3
[M+H-H2O]+ 188.04388 140.2
[M+HCOO]- 250.04482 157.3
[M+CH3COO]- 264.06047 183.8
[M+Na-2H]- 226.02129 146.4
[M]+ 205.04607 155.3
[M]- 205.04717 155.3
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