CID 22403739

3-bromo-1-cyclopropylpiperidin-2-one

Structural Information

Molecular Formula
C8H12BrNO
SMILES
C1CC(C(=O)N(C1)C2CC2)Br
InChI
InChI=1S/C8H12BrNO/c9-7-2-1-5-10(8(7)11)6-3-4-6/h6-7H,1-5H2
InChIKey
NPQBMXMVPOYQLP-UHFFFAOYSA-N
Compound name
3-bromo-1-cyclopropylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

217.01022 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.017496 144.0
[M+Na]+ 239.999438 156.0
[M-H]- 216.002944 152.3
[M+NH4]+ 235.044043 160.4
[M+K]+ 255.973378 145.1
[M+H-H2O]+ 200.007480 143.1
[M+HCOO]- 262.008421 161.9
[M+CH3COO]- 276.024071 187.6
[M+Na-2H]- 237.984886 149.5
[M]+ 217.00967142 160.3
[M]- 217.01076858 160.3
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