CID 204042

1-pyrrolidineacetamide, n-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, monohydrochloride

Structural Information

Molecular Formula
C13H16N2O2
SMILES
C1CCN(C1)CC(=O)NC2=CC=CC=CC2=O
InChI
InChI=1S/C13H16N2O2/c16-12-7-3-1-2-6-11(12)14-13(17)10-15-8-4-5-9-15/h1-3,6-7H,4-5,8-10H2,(H,14,16,17)
InChIKey
JHMYHMIHSJJVFR-UHFFFAOYSA-N
Compound name
N-(7-oxocyclohepta-1,3,5-trien-1-yl)-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 153.6
[M+Na]+ 255.11041 161.4
[M+NH4]+ 250.15501 159.9
[M+K]+ 271.08435 158.9
[M-H]- 231.11391 155.6
[M+Na-2H]- 253.09586 159.0
[M]+ 232.12064 154.9
[M]- 232.12174 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.