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 166.8
[M+Na]+ 295.17809 172.2
[M-H]- 271.18159 172.6
[M+NH4]+ 290.22269 187.9
[M+K]+ 311.15203 168.3
[M+H-H2O]+ 255.18613 159.8
[M+HCOO]- 317.18707 186.4
[M+CH3COO]- 331.20272 200.4
[M+Na-2H]- 293.16354 167.0
[M]+ 272.18832 163.9
[M]- 272.18942 163.9
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.