CID 13217326

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

Structural Information

Molecular Formula
C16H22N2O
SMILES
CC1=CC=C(C=C1)NC(=O)CC23CCCN2CCC3
InChI
InChI=1S/C16H22N2O/c1-13-4-6-14(7-5-13)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
YYJPZXIGYUZYAT-UHFFFAOYSA-N
Compound name
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.180496 162.6
[M+Na]+ 281.162438 167.5
[M-H]- 257.165944 168.2
[M+NH4]+ 276.207043 183.9
[M+K]+ 297.136378 163.9
[M+H-H2O]+ 241.170480 155.3
[M+HCOO]- 303.171421 182.6
[M+CH3COO]- 317.187071 173.7
[M+Na-2H]- 279.147886 163.9
[M]+ 258.17267142 159.0
[M]- 258.17376858 159.0
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.