CID 13217335

1h-pyrrolizine-7a(5h)-acetamide, tetrahydro-n-(3,4-dimethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC1=C(C=C(C=C1)NC(=O)CC23CCCN2CCC3)C
InChI
InChI=1S/C17H24N2O/c1-13-5-6-15(11-14(13)2)18-16(20)12-17-7-3-9-19(17)10-4-8-17/h5-6,11H,3-4,7-10,12H2,1-2H3,(H,18,20)
InChIKey
ZGAYDZCPGOIRNX-UHFFFAOYSA-N
Compound name
N-(3,4-dimethylphenyl)-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

272.18887 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 166.8
[M+Na]+ 295.178088 172.2
[M-H]- 271.181594 172.6
[M+NH4]+ 290.222693 187.9
[M+K]+ 311.152028 168.3
[M+H-H2O]+ 255.186130 159.8
[M+HCOO]- 317.187071 186.4
[M+CH3COO]- 331.202721 200.4
[M+Na-2H]- 293.163536 167.0
[M]+ 272.18832142 163.9
[M]- 272.18941858 163.9
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.