CID 47675

Brn 0393910

Structural Information

Molecular Formula

C₁₄H₂₀N₂

SMILES

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

InChI

InChI=1S/C14H20N2/c1-12-11-13-7-4-5-10-16(13)14(12)8-6-9-15(2)3/h4-5,7,10-11H,6,8-9H2,1-3H3

InChIKey

JFKGBEPUCWFCNF-UHFFFAOYSA-N

Compound name

N,N-dimethyl-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: 3.6
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]+	217.16992	150.5
[M+Na]+	239.15186	159.3
[M-H]-	215.15536	155.4
[M+NH4]+	234.19646	171.7
[M+K]+	255.12580	156.5
[M+H-H2O]+	199.15990	143.3
[M+HCOO]-	261.16084	175.8
[M+CH3COO]-	275.17649	196.7
[M+Na-2H]-	237.13731	155.9
[M]+	216.16209	155.0
[M]-	216.16319	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe