CID 6429123

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

Structural Information

Molecular Formula
C9H13NO
SMILES
C1CCN(C1)C2=CCCC2=O
InChI
InChI=1S/C9H13NO/c11-9-5-3-4-8(9)10-6-1-2-7-10/h4H,1-3,5-7H2
InChIKey
ZWFIWLWLIXMBEA-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

151.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 133.1
[M+Na]+ 174.08894 139.7
[M-H]- 150.09244 138.2
[M+NH4]+ 169.13354 156.1
[M+K]+ 190.06288 138.3
[M+H-H2O]+ 134.09698 126.7
[M+HCOO]- 196.09792 155.4
[M+CH3COO]- 210.11357 173.4
[M+Na-2H]- 172.07439 135.0
[M]+ 151.09917 129.3
[M]- 151.10027 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe