CID 135631208

2-amino-6-isopropylpyrimidin-4-ol

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

CC(C)C1=CC(=O)NC(=N1)N

InChI

InChI=1S/C7H11N3O/c1-4(2)5-3-6(11)10-7(8)9-5/h3-4H,1-2H3,(H3,8,9,10,11)

InChIKey

MNIKKPHWWBUBCL-UHFFFAOYSA-N

Compound name

2-amino-4-propan-2-yl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 153.09021 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]+	154.097486	131.8
[M+Na]+	176.079428	140.8
[M-H]-	152.082934	131.7
[M+NH4]+	171.124033	149.5
[M+K]+	192.053368	138.1
[M+H-H2O]+	136.087470	125.2
[M+HCOO]-	198.088411	152.8
[M+CH3COO]-	212.104061	176.6
[M+Na-2H]-	174.064876	137.2
[M]+	153.08966142	129.3
[M]-	153.09075858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe