CID 201516

5-cyclohexyl-5-propylpyrrolidin-2-one

Structural Information

Molecular Formula
C13H23NO
SMILES
CCCC1(CCC(=O)N1)C2CCCCC2
InChI
InChI=1S/C13H23NO/c1-2-9-13(10-8-12(15)14-13)11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,14,15)
InChIKey
BHMFKSCVLGDXQQ-UHFFFAOYSA-N
Compound name
5-cyclohexyl-5-propylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.17796 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.18524 152.7
[M+Na]+ 232.16718 156.2
[M-H]- 208.17068 155.1
[M+NH4]+ 227.21178 172.7
[M+K]+ 248.14112 152.9
[M+H-H2O]+ 192.17522 146.0
[M+HCOO]- 254.17616 168.5
[M+CH3COO]- 268.19181 182.6
[M+Na-2H]- 230.15263 153.5
[M]+ 209.17741 145.0
[M]- 209.17851 145.0
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.