CID 18958803

1092297-90-9

Structural Information

Molecular Formula

C₈H₁₆N₂

SMILES

CC1CN2CCCC2CN1

InChI

InChI=1S/C8H16N2/c1-7-6-10-4-2-3-8(10)5-9-7/h7-9H,2-6H2,1H3

InChIKey

ZUILOGVUGKBLHW-UHFFFAOYSA-N

Compound name

3-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 76
Patents: 140.13135 Da
Monoisotopic Mass: 0.6
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]+	141.138626	132.9
[M+Na]+	163.120568	138.5
[M-H]-	139.124074	132.2
[M+NH4]+	158.165173	153.8
[M+K]+	179.094508	136.1
[M+H-H2O]+	123.128610	126.1
[M+HCOO]-	185.129551	148.4
[M+CH3COO]-	199.145201	144.4
[M+Na-2H]-	161.106016	136.7
[M]+	140.13080142	125.7
[M]-	140.13189858	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe