CID 47676

Indolizine, 3-(3-(ethylamino)propyl)-2-methyl-

Structural Information

Molecular Formula
C14H20N2
SMILES
CCNCCCC1=C(C=C2N1C=CC=C2)C
InChI
InChI=1S/C14H20N2/c1-3-15-9-6-8-14-12(2)11-13-7-4-5-10-16(13)14/h4-5,7,10-11,15H,3,6,8-9H2,1-2H3
InChIKey
YRUZIZNKYMALHG-UHFFFAOYSA-N
Compound name
N-ethyl-3-(2-methylindolizin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

216.16264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 150.0
[M+Na]+ 239.15186 158.7
[M-H]- 215.15536 153.4
[M+NH4]+ 234.19646 170.5
[M+K]+ 255.12580 154.5
[M+H-H2O]+ 199.15990 143.0
[M+HCOO]- 261.16084 174.8
[M+CH3COO]- 275.17649 193.2
[M+Na-2H]- 237.13731 156.2
[M]+ 216.16209 153.3
[M]- 216.16319 153.3
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

patents stripe