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]+ 287.21178 170.9
[M+Na]+ 309.19372 176.8
[M-H]- 285.19722 176.9
[M+NH4]+ 304.23832 191.8
[M+K]+ 325.16766 172.7
[M+H-H2O]+ 269.20176 164.1
[M+HCOO]- 331.20270 190.2
[M+CH3COO]- 345.21835 204.5
[M+Na-2H]- 307.17917 170.0
[M]+ 286.20395 168.8
[M]- 286.20505 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.