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]+ 235.18050 157.0
[M+Na]+ 257.16244 162.4
[M-H]- 233.16594 163.9
[M+NH4]+ 252.20704 178.8
[M+K]+ 273.13638 160.0
[M+H-H2O]+ 217.17048 149.4
[M+HCOO]- 279.17142 175.8
[M+CH3COO]- 293.18707 168.6
[M+Na-2H]- 255.14789 153.9
[M]+ 234.17267 151.8
[M]- 234.17377 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