CID 86131843

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

Structural Information

Molecular Formula
C11H17NO
SMILES
CCC1=C(C(=O)CC1)N2CCCC2
InChI
InChI=1S/C11H17NO/c1-2-9-5-6-10(13)11(9)12-7-3-4-8-12/h2-8H2,1H3
InChIKey
XYFITVFPQSIWES-UHFFFAOYSA-N
Compound name
3-ethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 141.8
[M+Na]+ 202.12023 148.5
[M-H]- 178.12373 146.9
[M+NH4]+ 197.16483 164.0
[M+K]+ 218.09417 146.4
[M+H-H2O]+ 162.12827 135.3
[M+HCOO]- 224.12921 163.4
[M+CH3COO]- 238.14486 180.5
[M+Na-2H]- 200.10568 142.0
[M]+ 179.13046 139.1
[M]- 179.13156 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

No patent data available for this compound.