CID 13217340

1h-pyrrolizine-7a(5h)-acetamide, tetrahydro-n-(2,4,6-trimethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H26N2O
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CC23CCCN2CCC3)C
InChI
InChI=1S/C18H26N2O/c1-13-10-14(2)17(15(3)11-13)19-16(21)12-18-6-4-8-20(18)9-5-7-18/h10-11H,4-9,12H2,1-3H3,(H,19,21)
InChIKey
NCXDRHGLTKVWCG-UHFFFAOYSA-N
Compound name
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.2045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.211776 170.9
[M+Na]+ 309.193718 176.8
[M-H]- 285.197224 176.9
[M+NH4]+ 304.238323 191.8
[M+K]+ 325.167658 172.7
[M+H-H2O]+ 269.201760 164.1
[M+HCOO]- 331.202701 190.2
[M+CH3COO]- 345.218351 204.5
[M+Na-2H]- 307.179166 170.0
[M]+ 286.20395142 168.8
[M]- 286.20504858 168.8
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.