CID 18185987

5-ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one

Structural Information

Molecular Formula
C11H17NO
SMILES
CCC1CC=C(C1=O)N2CCCC2
InChI
InChI=1S/C11H17NO/c1-2-9-5-6-10(11(9)13)12-7-3-4-8-12/h6,9H,2-5,7-8H2,1H3
InChIKey
IDLBOFBAMNDNFR-UHFFFAOYSA-N
Compound name
5-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

179.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 141.8
[M+Na]+ 202.120228 148.5
[M-H]- 178.123734 146.9
[M+NH4]+ 197.164833 164.0
[M+K]+ 218.094168 146.4
[M+H-H2O]+ 162.128270 135.3
[M+HCOO]- 224.129211 163.4
[M+CH3COO]- 238.144861 180.5
[M+Na-2H]- 200.105676 142.0
[M]+ 179.13046142 139.1
[M]- 179.13155858 139.1
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