CID 82418539

1-(3-methylpyrazin-2-yl)ethan-1-amine

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CC1=NC=CN=C1C(C)N

InChI

InChI=1S/C7H11N3/c1-5(8)7-6(2)9-3-4-10-7/h3-5H,8H2,1-2H3

InChIKey

ZSXDATROELJNEU-UHFFFAOYSA-N

Compound name

1-(3-methylpyrazin-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 137.09529 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]+	138.10257	128.7
[M+Na]+	160.08451	137.0
[M-H]-	136.08801	129.6
[M+NH4]+	155.12911	147.6
[M+K]+	176.05845	135.3
[M+H-H2O]+	120.09255	121.7
[M+HCOO]-	182.09349	150.8
[M+CH3COO]-	196.10914	176.7
[M+Na-2H]-	158.06996	135.5
[M]+	137.09474	127.0
[M]-	137.09584	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe