CID 165982618

4-bromo-1-(oxetan-3-yl)piperidine hydrochloride

Structural Information

Molecular Formula
C8H14BrNO
SMILES
C1CN(CCC1Br)C2COC2
InChI
InChI=1S/C8H14BrNO/c9-7-1-3-10(4-2-7)8-5-11-6-8/h7-8H,1-6H2
InChIKey
MCGNQTOVCMVDRS-UHFFFAOYSA-N
Compound name
4-bromo-1-(oxetan-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.02588 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.033156 129.7
[M+Na]+ 242.015098 137.2
[M-H]- 218.018604 137.1
[M+NH4]+ 237.059703 143.2
[M+K]+ 257.989038 132.0
[M+H-H2O]+ 202.023140 124.9
[M+HCOO]- 264.024081 145.0
[M+CH3COO]- 278.039731 187.0
[M+Na-2H]- 240.000546 137.2
[M]+ 219.02533142 151.7
[M]- 219.02642858 151.7
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

No patent data available for this compound.