CID 89252

3,5-dibromo-2,2,6,6-tetramethylpiperidin-4-one

Structural Information

Molecular Formula
C9H15Br2NO
SMILES
CC1(C(C(=O)C(C(N1)(C)C)Br)Br)C
InChI
InChI=1S/C9H15Br2NO/c1-8(2)6(10)5(13)7(11)9(3,4)12-8/h6-7,12H,1-4H3
InChIKey
SMSQRKIBWOTIMI-UHFFFAOYSA-N
Compound name
3,5-dibromo-2,2,6,6-tetramethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

310.95203 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.95931 139.1
[M+Na]+ 333.94125 150.5
[M-H]- 309.94475 144.2
[M+NH4]+ 328.98585 160.0
[M+K]+ 349.91519 134.9
[M+H-H2O]+ 293.94929 149.2
[M+HCOO]- 355.95023 150.7
[M+CH3COO]- 369.96588 204.6
[M+Na-2H]- 331.92670 145.3
[M]+ 310.95148 171.4
[M]- 310.95258 171.4
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