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

3
Patents

210.17322 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.180496 152.7
[M+Na]+ 233.162438 156.9
[M-H]- 209.165944 155.3
[M+NH4]+ 228.207043 171.8
[M+K]+ 249.136378 154.9
[M+H-H2O]+ 193.170480 144.4
[M+HCOO]- 255.171421 171.2
[M+CH3COO]- 269.187071 185.5
[M+Na-2H]- 231.147886 151.7
[M]+ 210.17267142 149.0
[M]- 210.17376858 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