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

18
Patents

180.1011 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10838 139.6
[M+Na]+ 203.09032 147.8
[M-H]- 179.09382 140.8
[M+NH4]+ 198.13492 156.6
[M+K]+ 219.06426 145.7
[M+H-H2O]+ 163.09836 132.1
[M+HCOO]- 225.09930 162.8
[M+CH3COO]- 239.11495 186.5
[M+Na-2H]- 201.07577 145.4
[M]+ 180.10055 138.5
[M]- 180.10165 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe