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

75
Patents

167.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.138286 139.6
[M+Na]+ 190.120228 143.4
[M-H]- 166.123734 142.3
[M+NH4]+ 185.164833 159.3
[M+K]+ 206.094168 140.7
[M+H-H2O]+ 150.128270 132.8
[M+HCOO]- 212.129211 156.4
[M+CH3COO]- 226.144861 174.0
[M+Na-2H]- 188.105676 140.9
[M]+ 167.13046142 130.6
[M]- 167.13155858 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