CID 13217331

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

Structural Information

Molecular Formula
C16H22N2O2
SMILES
COC1=CC=C(C=C1)NC(=O)CC23CCCN2CCC3
InChI
InChI=1S/C16H22N2O2/c1-20-14-6-4-13(5-7-14)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
TZRQVEYKCQJWBK-UHFFFAOYSA-N
Compound name
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.16812 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 165.3
[M+Na]+ 297.15734 170.0
[M-H]- 273.16084 170.9
[M+NH4]+ 292.20194 185.8
[M+K]+ 313.13128 167.0
[M+H-H2O]+ 257.16538 157.9
[M+HCOO]- 319.16632 185.4
[M+CH3COO]- 333.18197 198.3
[M+Na-2H]- 295.14279 166.8
[M]+ 274.16757 163.1
[M]- 274.16867 163.1
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.