CID 21388327

3-bromo-1-(propan-2-yl)piperidin-2-one

Structural Information

Molecular Formula
C8H14BrNO
SMILES
CC(C)N1CCCC(C1=O)Br
InChI
InChI=1S/C8H14BrNO/c1-6(2)10-5-3-4-7(9)8(10)11/h6-7H,3-5H2,1-2H3
InChIKey
RMFDATHXIXMZDO-UHFFFAOYSA-N
Compound name
3-bromo-1-propan-2-ylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

219.02588 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.03316 141.0
[M+Na]+ 242.01510 150.9
[M-H]- 218.01860 145.6
[M+NH4]+ 237.05970 162.0
[M+K]+ 257.98904 141.0
[M+H-H2O]+ 202.02314 141.1
[M+HCOO]- 264.02408 157.5
[M+CH3COO]- 278.03973 186.6
[M+Na-2H]- 240.00055 145.4
[M]+ 219.02533 156.4
[M]- 219.02643 156.4
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