CID 79022648

1-[3-(bromomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

Structural Information

Molecular Formula
C11H20BrNO
SMILES
CC(C)(C)C(=O)N1CCCC(C1)CBr
InChI
InChI=1S/C11H20BrNO/c1-11(2,3)10(14)13-6-4-5-9(7-12)8-13/h9H,4-8H2,1-3H3
InChIKey
SMAYVAMSOFARES-UHFFFAOYSA-N
Compound name
1-[3-(bromomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.0728 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08008 153.5
[M+Na]+ 284.06202 154.2
[M+NH4]+ 279.10662 157.5
[M+K]+ 300.03596 155.1
[M-H]- 260.06552 152.5
[M+Na-2H]- 282.04747 154.3
[M]+ 261.07225 152.0
[M]- 261.07335 152.0
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.