CID 18768454

2287302-30-9

Structural Information

Molecular Formula

SMILES

C1=CN=C(NC1=O)CCN

InChI

InChI=1S/C6H9N3O/c7-3-1-5-8-4-2-6(10)9-5/h2,4H,1,3,7H2,(H,8,9,10)

InChIKey

AEIZOZZULKSQDC-UHFFFAOYSA-N

Compound name

2-(2-aminoethyl)-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 139.07455 Da
Monoisotopic Mass: -1.4
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]+	140.08183	126.5
[M+Na]+	162.06377	138.3
[M+NH4]+	157.10837	133.6
[M+K]+	178.03771	133.0
[M-H]-	138.06727	127.0
[M+Na-2H]-	160.04922	132.9
[M]+	139.07400	128.0
[M]-	139.07510	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe