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]+ 220.06954 146.0
[M+Na]+ 242.05148 153.6
[M-H]- 218.05498 149.7
[M+NH4]+ 237.09608 166.5
[M+K]+ 258.02542 143.6
[M+H-H2O]+ 202.05952 145.6
[M+HCOO]- 264.06046 161.8
[M+CH3COO]- 278.07611 186.3
[M+Na-2H]- 240.03693 151.0
[M]+ 219.06171 160.4
[M]- 219.06281 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