CID 201514

6139-31-7

Structural Information

Molecular Formula
C11H19NO
SMILES
CC1(CCC(=O)N1)C2CCCCC2
InChI
InChI=1S/C11H19NO/c1-11(8-7-10(13)12-11)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13)
InChIKey
MOZWSOGYOUQJSF-UHFFFAOYSA-N
Compound name
5-cyclohexyl-5-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 143.9
[M+Na]+ 204.135888 148.3
[M-H]- 180.139394 146.7
[M+NH4]+ 199.180493 165.1
[M+K]+ 220.109828 145.5
[M+H-H2O]+ 164.143930 137.5
[M+HCOO]- 226.144871 160.4
[M+CH3COO]- 240.160521 176.6
[M+Na-2H]- 202.121336 145.7
[M]+ 181.14612142 135.4
[M]- 181.14721858 135.4
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.