CID 106895

4-bromo-2,2,6,6-tetramethylpiperidine

Structural Information

Molecular Formula
C9H18BrN
SMILES
CC1(CC(CC(N1)(C)C)Br)C
InChI
InChI=1S/C9H18BrN/c1-8(2)5-7(10)6-9(3,4)11-8/h7,11H,5-6H2,1-4H3
InChIKey
QFZDDOSCZLLDHS-UHFFFAOYSA-N
Compound name
4-bromo-2,2,6,6-tetramethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

219.06226 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.069536 139.4
[M+Na]+ 242.051478 150.3
[M-H]- 218.054984 143.3
[M+NH4]+ 237.096083 163.8
[M+K]+ 258.025418 139.6
[M+H-H2O]+ 202.059520 141.6
[M+HCOO]- 264.060461 154.9
[M+CH3COO]- 278.076111 184.5
[M+Na-2H]- 240.036926 146.4
[M]+ 219.06171142 154.3
[M]- 219.06280858 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe