CID 21388332

3-bromo-1-ethylpiperidin-2-one

Structural Information

Molecular Formula
C7H12BrNO
SMILES
CCN1CCCC(C1=O)Br
InChI
InChI=1S/C7H12BrNO/c1-2-9-5-3-4-6(8)7(9)10/h6H,2-5H2,1H3
InChIKey
QMNCTCDOZNVJIC-UHFFFAOYSA-N
Compound name
3-bromo-1-ethylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.01022 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01750 136.2
[M+Na]+ 227.99944 146.7
[M-H]- 204.00294 140.8
[M+NH4]+ 223.04404 157.7
[M+K]+ 243.97338 136.7
[M+H-H2O]+ 188.00748 136.3
[M+HCOO]- 250.00842 153.9
[M+CH3COO]- 264.02407 183.0
[M+Na-2H]- 225.98489 142.2
[M]+ 205.00967 151.9
[M]- 205.01077 151.9
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