CID 201515

6139-32-8

Structural Information

Molecular Formula
C12H21NO
SMILES
CCC1(CCC(=O)N1)C2CCCCC2
InChI
InChI=1S/C12H21NO/c1-2-12(9-8-11(14)13-12)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H,13,14)
InChIKey
DDQRLPNIUKEIRP-UHFFFAOYSA-N
Compound name
5-cyclohexyl-5-ethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.16959 148.3
[M+Na]+ 218.15153 152.2
[M-H]- 194.15503 150.9
[M+NH4]+ 213.19613 168.9
[M+K]+ 234.12547 149.2
[M+H-H2O]+ 178.15957 141.8
[M+HCOO]- 240.16051 164.4
[M+CH3COO]- 254.17616 179.6
[M+Na-2H]- 216.13698 149.6
[M]+ 195.16176 140.2
[M]- 195.16286 140.2
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.