CID 117296

1-(allyl)pyrrolidine-2-methylamine

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

C=CCN1CCCC1CN

InChI

InChI=1S/C8H16N2/c1-2-5-10-6-3-4-8(10)7-9/h2,8H,1,3-7,9H2

InChIKey

HTGKTSVPJJNEMQ-UHFFFAOYSA-N

Compound name

(1-prop-2-enylpyrrolidin-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 140.13135 Da
Monoisotopic Mass: 0.5
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]+	141.13863	132.8
[M+Na]+	163.12057	138.8
[M-H]-	139.12407	133.9
[M+NH4]+	158.16517	154.3
[M+K]+	179.09451	136.8
[M+H-H2O]+	123.12861	126.4
[M+HCOO]-	185.12955	154.7
[M+CH3COO]-	199.14520	176.1
[M+Na-2H]-	161.10602	135.7
[M]+	140.13080	128.5
[M]-	140.13190	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe