CID 47674

Brn 0392103

Structural Information

Molecular Formula

C₁₃H₁₈N₂

SMILES

CC1=C(N2C=CC=CC2=C1)CCCNC

InChI

InChI=1S/C13H18N2/c1-11-10-12-6-3-4-9-15(12)13(11)7-5-8-14-2/h3-4,6,9-10,14H,5,7-8H2,1-2H3

InChIKey

TWNBNFVHULVIPG-UHFFFAOYSA-N

Compound name

N-methyl-3-(2-methylindolizin-3-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 202.147 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.15428	145.3
[M+Na]+	225.13622	154.5
[M-H]-	201.13972	149.0
[M+NH4]+	220.18082	166.4
[M+K]+	241.11016	150.6
[M+H-H2O]+	185.14426	138.5
[M+HCOO]-	247.14520	170.5
[M+CH3COO]-	261.16085	190.2
[M+Na-2H]-	223.12167	152.0
[M]+	202.14645	148.3
[M]-	202.14755	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe