CID 827231

1-pyrrolidineacetamide, n-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-, monohydrochloride

Structural Information

Molecular Formula
C18H24N2O
SMILES
C1CCN(C1)CC(=O)NC2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C18H24N2O/c21-17(12-20-9-1-2-10-20)19-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h11H,1-10,12H2,(H,19,21)
InChIKey
ROUBYMJQFAHQPZ-UHFFFAOYSA-N
Compound name
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

284.18887 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19615 169.9
[M+Na]+ 307.17809 173.8
[M-H]- 283.18159 176.4
[M+NH4]+ 302.22269 190.8
[M+K]+ 323.15203 169.7
[M+H-H2O]+ 267.18613 163.0
[M+HCOO]- 329.18707 188.2
[M+CH3COO]- 343.20272 180.2
[M+Na-2H]- 305.16354 167.3
[M]+ 284.18832 165.4
[M]- 284.18942 165.4
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

No patent data available for this compound.