CID 13217338

1h-pyrrolizine-7a(5h)-acetamide, tetrahydro-n-(2,6-dichlorophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H18Cl2N2O
SMILES
C1CC2(CCCN2C1)CC(=O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C15H18Cl2N2O/c16-11-4-1-5-12(17)14(11)18-13(20)10-15-6-2-8-19(15)9-3-7-15/h1,4-5H,2-3,6-10H2,(H,18,20)
InChIKey
LSCOFQBMCUXOGJ-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-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

312.07962 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08690 174.4
[M+Na]+ 335.06884 181.8
[M-H]- 311.07234 179.4
[M+NH4]+ 330.11344 194.9
[M+K]+ 351.04278 175.1
[M+H-H2O]+ 295.07688 168.1
[M+HCOO]- 357.07782 184.8
[M+CH3COO]- 371.09347 184.8
[M+Na-2H]- 333.05429 173.9
[M]+ 312.07907 173.9
[M]- 312.08017 173.9
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.