CID 45598105

2-methyl-2-(pyrazin-2-yl)propan-1-amine

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

CC(C)(CN)C1=NC=CN=C1

InChI

InChI=1S/C8H13N3/c1-8(2,6-9)7-5-10-3-4-11-7/h3-5H,6,9H2,1-2H3

InChIKey

DYLBXGBJQZSXOY-UHFFFAOYSA-N

Compound name

2-methyl-2-pyrazin-2-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 151.11095 Da
Monoisotopic Mass: 0.0
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]+	152.11823	133.7
[M+Na]+	174.10017	141.3
[M-H]-	150.10367	134.2
[M+NH4]+	169.14477	151.8
[M+K]+	190.07411	139.3
[M+H-H2O]+	134.10821	126.8
[M+HCOO]-	196.10915	154.8
[M+CH3COO]-	210.12480	178.1
[M+Na-2H]-	172.08562	142.5
[M]+	151.11040	132.0
[M]-	151.11150	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe