CID 48288

Ammonium, allyldimethyl(2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)-, bromide

Structural Information

Molecular Formula
C19H27N2O
SMILES
CC1=C(N2C=CC=CC2=C1C(C)C[N+](C)(C)CC=C)C(=O)C
InChI
InChI=1S/C19H27N2O/c1-7-12-21(5,6)13-14(2)18-15(3)19(16(4)22)20-11-9-8-10-17(18)20/h7-11,14H,1,12-13H2,2-6H3/q+1
InChIKey
YDESDJOVPFZPDR-UHFFFAOYSA-N
Compound name
2-(3-acetyl-2-methylindolizin-1-yl)propyl-dimethyl-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.21234 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.219616 173.2
[M+Na]+ 322.201558 181.1
[M-H]- 298.205064 178.3
[M+NH4]+ 317.246163 191.0
[M+K]+ 338.175498 171.7
[M+H-H2O]+ 282.209600 169.1
[M+HCOO]- 344.210541 194.1
[M+CH3COO]- 358.226191 207.2
[M+Na-2H]- 320.187006 177.6
[M]+ 299.21179142 176.9
[M]- 299.21288858 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.