CID 61949943

871823-78-8

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CC1=C(N=C(N=C1N)C)C

InChI

InChI=1S/C7H11N3/c1-4-5(2)9-6(3)10-7(4)8/h1-3H3,(H2,8,9,10)

InChIKey

HNOWKUQKICEGKY-UHFFFAOYSA-N

Compound name

2,5,6-trimethylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 65
Patents: 137.09529 Da
Monoisotopic Mass: 1.0
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]+	138.10257	127.8
[M+Na]+	160.08451	141.3
[M+NH4]+	155.12911	136.0
[M+K]+	176.05845	135.3
[M-H]-	136.08801	129.8
[M+Na-2H]-	158.06996	134.7
[M]+	137.09474	130.2
[M]-	137.09584	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe