CID 60818558

1178347-69-7

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CC(C1=NC=CN=C1)NC

InChI

InChI=1S/C7H11N3/c1-6(8-2)7-5-9-3-4-10-7/h3-6,8H,1-2H3

InChIKey

SRSAPHQSHGUVKN-UHFFFAOYSA-N

Compound name

N-methyl-1-pyrazin-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 137.09529 Da
Monoisotopic Mass: -0.4
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]+	138.102566	128.2
[M+Na]+	160.084508	135.5
[M-H]-	136.088014	129.1
[M+NH4]+	155.129113	147.0
[M+K]+	176.058448	134.2
[M+H-H2O]+	120.092550	120.8
[M+HCOO]-	182.093491	150.9
[M+CH3COO]-	196.109141	176.3
[M+Na-2H]-	158.069956	136.9
[M]+	137.09474142	127.1
[M]-	137.09583858	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe