CID 86131855

5-methyl-2,5-di-1-pyrrolidinyl-2-cyclopenten-1-one

Structural Information

Molecular Formula
C14H22N2O
SMILES
CC1(CC=C(C1=O)N2CCCC2)N3CCCC3
InChI
InChI=1S/C14H22N2O/c1-14(16-10-4-5-11-16)7-6-12(13(14)17)15-8-2-3-9-15/h6H,2-5,7-11H2,1H3
InChIKey
LHZWOGDJILLEFO-UHFFFAOYSA-N
Compound name
5-methyl-2,5-dipyrrolidin-1-ylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.17322 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.180496 157.0
[M+Na]+ 257.162438 162.4
[M-H]- 233.165944 163.9
[M+NH4]+ 252.207043 178.8
[M+K]+ 273.136378 160.0
[M+H-H2O]+ 217.170480 149.4
[M+HCOO]- 279.171421 175.8
[M+CH3COO]- 293.187071 168.6
[M+Na-2H]- 255.147886 153.9
[M]+ 234.17267142 151.8
[M]- 234.17376858 151.8
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