CID 12328989

687608-88-4

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CN1C(=CC(=O)N(C1=O)C)CN

InChI

InChI=1S/C7H11N3O2/c1-9-5(4-8)3-6(11)10(2)7(9)12/h3H,4,8H2,1-2H3

InChIKey

ZLBXQMBOVWXKTO-UHFFFAOYSA-N

Compound name

6-(aminomethyl)-1,3-dimethylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 169.08513 Da
Monoisotopic Mass: -1.7
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]+	170.09241	132.6
[M+Na]+	192.07435	144.3
[M-H]-	168.07785	134.5
[M+NH4]+	187.11895	150.9
[M+K]+	208.04829	141.9
[M+H-H2O]+	152.08239	125.9
[M+HCOO]-	214.08333	156.4
[M+CH3COO]-	228.09898	182.1
[M+Na-2H]-	190.05980	138.2
[M]+	169.08458	134.1
[M]-	169.08568	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe