CID 21820835

18202-83-0

Structural Information

Molecular Formula

C₇H₁₂N₄

SMILES

CC(C)NC1=NC=NC=C1N

InChI

InChI=1S/C7H12N4/c1-5(2)11-7-6(8)3-9-4-10-7/h3-5H,8H2,1-2H3,(H,9,10,11)

InChIKey

PWEGFMVXXGYUTH-UHFFFAOYSA-N

Compound name

4-N-propan-2-ylpyrimidine-4,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 152.1062 Da
Monoisotopic Mass: 0.6
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]+	153.11348	131.7
[M+Na]+	175.09542	142.7
[M+NH4]+	170.14002	139.2
[M+K]+	191.06936	137.7
[M-H]-	151.09892	133.5
[M+Na-2H]-	173.08087	138.3
[M]+	152.10565	133.5
[M]-	152.10675	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe