CID 43670459

2-propylpyrimidin-5-amine

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CCCC1=NC=C(C=N1)N

InChI

InChI=1S/C7H11N3/c1-2-3-7-9-4-6(8)5-10-7/h4-5H,2-3,8H2,1H3

InChIKey

CWMBKNVKVKTIGM-UHFFFAOYSA-N

Compound name

2-propylpyrimidin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 137.09529 Da
Monoisotopic Mass: 0.7
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	140.4
[M+NH4]+	155.12911	135.9
[M+K]+	176.05845	134.1
[M-H]-	136.08801	129.5
[M+Na-2H]-	158.06996	135.1
[M]+	137.09474	129.9
[M]-	137.09584	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe