CID 60820283

2839143-25-6

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CC(C1=NC=CC=N1)NC

InChI

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

InChIKey

DWRJLAIPDFXPIJ-UHFFFAOYSA-N

Compound name

N-methyl-1-pyrimidin-2-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 137.09529 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]+	138.10257	128.2
[M+Na]+	160.08451	135.5
[M-H]-	136.08801	129.1
[M+NH4]+	155.12911	147.0
[M+K]+	176.05845	134.2
[M+H-H2O]+	120.09255	120.8
[M+HCOO]-	182.09349	150.9
[M+CH3COO]-	196.10914	176.3
[M+Na-2H]-	158.06996	136.9
[M]+	137.09474	127.1
[M]-	137.09584	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe