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]+ 323.07536 172.6
[M+Na]+ 345.05730 181.1
[M-H]- 321.06080 180.7
[M+NH4]+ 340.10190 194.8
[M+K]+ 361.03124 169.8
[M+H-H2O]+ 305.06534 171.8
[M+HCOO]- 367.06628 190.7
[M+CH3COO]- 381.08193 185.1
[M+Na-2H]- 343.04275 175.2
[M]+ 322.06753 187.6
[M]- 322.06863 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.