CID 4913032

165807-05-6

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

COC(C1=NC(=NC=C1)N)OC

InChI

InChI=1S/C7H11N3O2/c1-11-6(12-2)5-3-4-9-7(8)10-5/h3-4,6H,1-2H3,(H2,8,9,10)

InChIKey

OQINWXZQCAIVNK-UHFFFAOYSA-N

Compound name

4-(dimethoxymethyl)pyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 172
Patents: 169.08513 Da
Monoisotopic Mass: -0.5
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]+	170.092406	134.6
[M+Na]+	192.074348	142.6
[M-H]-	168.077854	135.4
[M+NH4]+	187.118953	151.9
[M+K]+	208.048288	142.0
[M+H-H2O]+	152.082390	127.0
[M+HCOO]-	214.083331	157.1
[M+CH3COO]-	228.098981	180.9
[M+Na-2H]-	190.059796	141.3
[M]+	169.08458142	135.7
[M]-	169.08567858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe