CID 13217328

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

Structural Information

Molecular Formula
C15H19BrN2O
SMILES
C1CC2(CCCN2C1)CC(=O)NC3=CC=CC=C3Br
InChI
InChI=1S/C15H19BrN2O/c16-12-5-1-2-6-13(12)17-14(19)11-15-7-3-9-18(15)10-4-8-15/h1-2,5-6H,3-4,7-11H2,(H,17,19)
InChIKey
FMGSFXZDAVXHSU-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-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

322.06808 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.075356 172.6
[M+Na]+ 345.057298 181.1
[M-H]- 321.060804 180.7
[M+NH4]+ 340.101903 194.8
[M+K]+ 361.031238 169.8
[M+H-H2O]+ 305.065340 171.8
[M+HCOO]- 367.066281 190.7
[M+CH3COO]- 381.081931 185.1
[M+Na-2H]- 343.042746 175.2
[M]+ 322.06753142 187.6
[M]- 322.06862858 187.6
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.