CID 77230326

162368-02-7

Structural Information

Molecular Formula
C9H14BrNO2
SMILES
CC(=O)N1CCC(CC1)C(=O)CBr
InChI
InChI=1S/C9H14BrNO2/c1-7(12)11-4-2-8(3-5-11)9(13)6-10/h8H,2-6H2,1H3
InChIKey
SJHFANAAUIRSLR-UHFFFAOYSA-N
Compound name
1-(1-acetylpiperidin-4-yl)-2-bromoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

247.02078 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.02806 147.6
[M+Na]+ 270.01000 156.2
[M-H]- 246.01350 151.8
[M+NH4]+ 265.05460 167.1
[M+K]+ 285.98394 146.4
[M+H-H2O]+ 230.01804 147.3
[M+HCOO]- 292.01898 163.2
[M+CH3COO]- 306.03463 189.6
[M+Na-2H]- 267.99545 151.0
[M]+ 247.02023 163.1
[M]- 247.02133 163.1
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