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]+ 220.033156 141.0
[M+Na]+ 242.015098 150.9
[M-H]- 218.018604 145.6
[M+NH4]+ 237.059703 162.0
[M+K]+ 257.989038 141.0
[M+H-H2O]+ 202.023140 141.1
[M+HCOO]- 264.024081 157.5
[M+CH3COO]- 278.039731 186.6
[M+Na-2H]- 240.000546 145.4
[M]+ 219.02533142 156.4
[M]- 219.02642858 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