CID 13217330

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

Structural Information

Molecular Formula
C16H22N2O2
SMILES
COC1=CC=CC(=C1)NC(=O)CC23CCCN2CCC3
InChI
InChI=1S/C16H22N2O2/c1-20-14-6-2-5-13(11-14)17-15(19)12-16-7-3-9-18(16)10-4-8-16/h2,5-6,11H,3-4,7-10,12H2,1H3,(H,17,19)
InChIKey
BXYNCZCUFVWPEE-UHFFFAOYSA-N
Compound name
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-(3-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]+ 275.175396 165.3
[M+Na]+ 297.157338 170.0
[M-H]- 273.160844 170.9
[M+NH4]+ 292.201943 185.8
[M+K]+ 313.131278 167.0
[M+H-H2O]+ 257.165380 157.9
[M+HCOO]- 319.166321 185.4
[M+CH3COO]- 333.181971 198.3
[M+Na-2H]- 295.142786 166.8
[M]+ 274.16757142 163.1
[M]- 274.16866858 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.