CID 58562683

1-(4-oxocyclohexyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H15NO2
SMILES
C1CC(=O)N(C1)C2CCC(=O)CC2
InChI
InChI=1S/C10H15NO2/c12-9-5-3-8(4-6-9)11-7-1-2-10(11)13/h8H,1-7H2
InChIKey
LITOUEJAJQBLGI-UHFFFAOYSA-N
Compound name
1-(4-oxocyclohexyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

181.11028 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 140.3
[M+Na]+ 204.09950 145.7
[M-H]- 180.10300 144.8
[M+NH4]+ 199.14410 160.3
[M+K]+ 220.07344 143.8
[M+H-H2O]+ 164.10754 133.5
[M+HCOO]- 226.10848 159.0
[M+CH3COO]- 240.12413 179.0
[M+Na-2H]- 202.08495 141.5
[M]+ 181.10973 134.3
[M]- 181.11083 134.3
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