CID 202116

Sd 4201

Structural Information

Molecular Formula

C₈H₁₅N₅O

SMILES

CN(C)CCOC1=NC(=NC(=C1)N)N

InChI

InChI=1S/C8H15N5O/c1-13(2)3-4-14-7-5-6(9)11-8(10)12-7/h5H,3-4H2,1-2H3,(H4,9,10,11,12)

InChIKey

AMOIXPZXUWPDNX-UHFFFAOYSA-N

Compound name

6-[2-(dimethylamino)ethoxy]pyrimidine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.12766 Da
Monoisotopic Mass: -0.2
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]+	198.13494	143.7
[M+Na]+	220.11688	151.1
[M-H]-	196.12038	145.6
[M+NH4]+	215.16148	160.0
[M+K]+	236.09082	150.1
[M+H-H2O]+	180.12492	135.3
[M+HCOO]-	242.12586	168.6
[M+CH3COO]-	256.14151	195.2
[M+Na-2H]-	218.10233	149.4
[M]+	197.12711	143.5
[M]-	197.12821	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe