CID 10419563

90860-35-8

Structural Information

Molecular Formula

C₇H₁₂N₄O

SMILES

CN(C)C1=C(C(=NC=N1)OC)N

InChI

InChI=1S/C7H12N4O/c1-11(2)6-5(8)7(12-3)10-4-9-6/h4H,8H2,1-3H3

InChIKey

NWBQVGDVWUAKGE-UHFFFAOYSA-N

Compound name

6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.1011 Da
Monoisotopic Mass: 0.3
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]+	169.108376	135.4
[M+Na]+	191.090318	144.0
[M-H]-	167.093824	138.0
[M+NH4]+	186.134923	153.5
[M+K]+	207.064258	143.7
[M+H-H2O]+	151.098360	127.6
[M+HCOO]-	213.099301	160.2
[M+CH3COO]-	227.114951	187.6
[M+Na-2H]-	189.075766	142.2
[M]+	168.10055142	136.5
[M]-	168.10164858	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe