CID 15703007

112104-02-6

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

C1=C(C=NC=N1)CCCN

InChI

InChI=1S/C7H11N3/c8-3-1-2-7-4-9-6-10-5-7/h4-6H,1-3,8H2

InChIKey

VVXSHHNKFBLSFK-UHFFFAOYSA-N

Compound name

3-pyrimidin-5-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
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	128.0
[M+Na]+	160.08451	135.5
[M-H]-	136.08801	128.3
[M+NH4]+	155.12911	146.6
[M+K]+	176.05845	133.4
[M+H-H2O]+	120.09255	120.6
[M+HCOO]-	182.09349	151.1
[M+CH3COO]-	196.10914	174.8
[M+Na-2H]-	158.06996	136.9
[M]+	137.09474	126.5
[M]-	137.09584	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe