CID 20607226

2287275-27-6

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CC1=CN=C(C=N1)CNC

InChI

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

InChIKey

VQIHQBNDRQZLLV-UHFFFAOYSA-N

Compound name

N-methyl-1-(5-methylpyrazin-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
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	127.8
[M+Na]+	160.084508	136.3
[M-H]-	136.088014	129.0
[M+NH4]+	155.129113	147.0
[M+K]+	176.058448	134.5
[M+H-H2O]+	120.092550	120.6
[M+HCOO]-	182.093491	151.5
[M+CH3COO]-	196.109141	176.6
[M+Na-2H]-	158.069956	136.9
[M]+	137.09474142	127.7
[M]-	137.09583858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe