CID 17922682

4-cyclohexylpyrrolidin-2-one

Structural Information

Molecular Formula
C10H17NO
SMILES
C1CCC(CC1)C2CC(=O)NC2
InChI
InChI=1S/C10H17NO/c12-10-6-9(7-11-10)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,11,12)
InChIKey
PWSUQCRPENFXDF-UHFFFAOYSA-N
Compound name
4-cyclohexylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

167.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 139.6
[M+Na]+ 190.12023 143.4
[M-H]- 166.12373 142.3
[M+NH4]+ 185.16483 159.3
[M+K]+ 206.09417 140.7
[M+H-H2O]+ 150.12827 132.8
[M+HCOO]- 212.12921 156.4
[M+CH3COO]- 226.14486 174.0
[M+Na-2H]- 188.10568 140.9
[M]+ 167.13046 130.6
[M]- 167.13156 130.6
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