CID 13217332

1h-pyrrolizine-7a(5h)-acetamide, tetrahydro-n-(2,3-dimethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC1=C(C(=CC=C1)NC(=O)CC23CCCN2CCC3)C
InChI
InChI=1S/C17H24N2O/c1-13-6-3-7-15(14(13)2)18-16(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20)
InChIKey
HXTMCYPLGPKCJD-UHFFFAOYSA-N
Compound name
N-(2,3-dimethylphenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

272.18887 Da
Monoisotopic Mass

2.2
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

patents stripe