CID 199268

2-pyrrolidinone, 1-(4-(1-pyrrolidinyl)butyl)-

Structural Information

Molecular Formula
C12H22N2O
SMILES
C1CCN(C1)CCCCN2CCCC2=O
InChI
InChI=1S/C12H22N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-11H2
InChIKey
FDNVDBVUIXCOFK-UHFFFAOYSA-N
Compound name
1-(4-pyrrolidin-1-ylbutyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

210.17322 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18050 152.7
[M+Na]+ 233.16244 156.9
[M-H]- 209.16594 155.3
[M+NH4]+ 228.20704 171.8
[M+K]+ 249.13638 154.9
[M+H-H2O]+ 193.17048 144.4
[M+HCOO]- 255.17142 171.2
[M+CH3COO]- 269.18707 185.5
[M+Na-2H]- 231.14789 151.7
[M]+ 210.17267 149.0
[M]- 210.17377 149.0
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

patents stripe