CID 13217334

1h-pyrrolizine-7a(5h)-acetamide, tetrahydro-n-(2,5-dimethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC1=CC(=C(C=C1)C)NC(=O)CC23CCCN2CCC3
InChI
InChI=1S/C17H24N2O/c1-13-5-6-14(2)15(11-13)18-16(20)12-17-7-3-9-19(17)10-4-8-17/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,20)
InChIKey
DQHJTKKOLQJPDA-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.18887 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 166.9
[M+Na]+ 295.17809 175.9
[M+NH4]+ 290.22269 176.7
[M+K]+ 311.15203 170.9
[M-H]- 271.18159 170.1
[M+Na-2H]- 293.16354 172.2
[M]+ 272.18832 168.9
[M]- 272.18942 168.9
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.