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]+ 218.01750 144.0
[M+Na]+ 239.99944 156.0
[M-H]- 216.00294 152.3
[M+NH4]+ 235.04404 160.4
[M+K]+ 255.97338 145.1
[M+H-H2O]+ 200.00748 143.1
[M+HCOO]- 262.00842 161.9
[M+CH3COO]- 276.02407 187.6
[M+Na-2H]- 237.98489 149.5
[M]+ 217.00967 160.3
[M]- 217.01077 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