CID 12189836

3-bromo-1-cyclohexylpyrrolidin-2-one

Structural Information

Molecular Formula
C10H16BrNO
SMILES
C1CCC(CC1)N2CCC(C2=O)Br
InChI
InChI=1S/C10H16BrNO/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKey
RIWNJINXGLRLDD-UHFFFAOYSA-N
Compound name
3-bromo-1-cyclohexylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

245.04153 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04881 152.5
[M+Na]+ 268.03075 161.1
[M-H]- 244.03425 159.4
[M+NH4]+ 263.07535 173.7
[M+K]+ 284.00469 150.7
[M+H-H2O]+ 228.03879 152.0
[M+HCOO]- 290.03973 168.7
[M+CH3COO]- 304.05538 188.0
[M+Na-2H]- 266.01620 154.6
[M]+ 245.04098 164.7
[M]- 245.04208 164.7
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