CID 13217326

1h-pyrrolizine-7a(5h)-acetamide, tetrahydro-n-(4-methylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C16H22N2O
SMILES
CC1=CC=C(C=C1)NC(=O)CC23CCCN2CCC3
InChI
InChI=1S/C16H22N2O/c1-13-4-6-14(7-5-13)17-15(19)12-16-8-2-10-18(16)11-3-9-16/h4-7H,2-3,8-12H2,1H3,(H,17,19)
InChIKey
YYJPZXIGYUZYAT-UHFFFAOYSA-N
Compound name
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 163.1
[M+Na]+ 281.16244 171.9
[M+NH4]+ 276.20704 173.0
[M+K]+ 297.13638 166.9
[M-H]- 257.16594 166.2
[M+Na-2H]- 279.14789 168.8
[M]+ 258.17267 165.0
[M]- 258.17377 165.0
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.