CID 64868994

Schembl12582132

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CNCCC1=NC=NC=C1

InChI

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

InChIKey

IEYZPIVILBCYDF-UHFFFAOYSA-N

Compound name

N-methyl-2-pyrimidin-4-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 137.09529 Da
Monoisotopic Mass: 0.1
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	127.7
[M+Na]+	160.08451	135.1
[M-H]-	136.08801	128.4
[M+NH4]+	155.12911	146.4
[M+K]+	176.05845	133.4
[M+H-H2O]+	120.09255	120.2
[M+HCOO]-	182.09349	151.3
[M+CH3COO]-	196.10914	175.5
[M+Na-2H]-	158.06996	137.5
[M]+	137.09474	127.1
[M]-	137.09584	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe