CID 63788586

3-bromo-1-cyclobutylpyrrolidin-2-one

Structural Information

Molecular Formula
C8H12BrNO
SMILES
C1CC(C1)N2CCC(C2=O)Br
InChI
InChI=1S/C8H12BrNO/c9-7-4-5-10(8(7)11)6-2-1-3-6/h6-7H,1-5H2
InChIKey
QOHXJUILJIYNTK-UHFFFAOYSA-N
Compound name
3-bromo-1-cyclobutylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 131.2
[M+Na]+ 239.999438 140.7
[M-H]- 216.002944 138.9
[M+NH4]+ 235.044043 147.9
[M+K]+ 255.973378 133.8
[M+H-H2O]+ 200.007480 127.1
[M+HCOO]- 262.008421 149.5
[M+CH3COO]- 276.024071 187.0
[M+Na-2H]- 237.984886 135.8
[M]+ 217.00967142 154.2
[M]- 217.01076858 154.2
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

No patent data available for this compound.