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]+ 300.21962 173.2
[M+Na]+ 322.20156 181.1
[M-H]- 298.20506 178.3
[M+NH4]+ 317.24616 191.0
[M+K]+ 338.17550 171.7
[M+H-H2O]+ 282.20960 169.1
[M+HCOO]- 344.21054 194.1
[M+CH3COO]- 358.22619 207.2
[M+Na-2H]- 320.18701 177.6
[M]+ 299.21179 176.9
[M]- 299.21289 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.