CID 586434

23676-63-3

Structural Information

Molecular Formula

C₈H₁₂N₄O

SMILES

CC1=NC=C(C(=N1)N)CNC(=O)C

InChI

InChI=1S/C8H12N4O/c1-5-10-3-7(8(9)12-5)4-11-6(2)13/h3H,4H2,1-2H3,(H,11,13)(H2,9,10,12)

InChIKey

SXZFUSAWDLRCLQ-UHFFFAOYSA-N

Compound name

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 180.1011 Da
Monoisotopic Mass: 0.1
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]+	181.10838	138.8
[M+Na]+	203.09032	149.6
[M+NH4]+	198.13492	145.3
[M+K]+	219.06426	144.9
[M-H]-	179.09382	139.9
[M+Na-2H]-	201.07577	144.3
[M]+	180.10055	140.2
[M]-	180.10165	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe