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: 166
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]+	170.09241	134.6
[M+Na]+	192.07435	142.6
[M-H]-	168.07785	135.4
[M+NH4]+	187.11895	151.9
[M+K]+	208.04829	142.0
[M+H-H2O]+	152.08239	127.0
[M+HCOO]-	214.08333	157.1
[M+CH3COO]-	228.09898	180.9
[M+Na-2H]-	190.05980	141.3
[M]+	169.08458	135.7
[M]-	169.08568	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe