CID 135460856

Nsc676380

Structural Information

Molecular Formula
C10H16N4O2
SMILES
C1CC(C1)(CNC2=CC(=O)NC(=N2)N)CO
InChI
InChI=1S/C10H16N4O2/c11-9-13-7(4-8(16)14-9)12-5-10(6-15)2-1-3-10/h4,15H,1-3,5-6H2,(H4,11,12,13,14,16)
InChIKey
QDGWGQSZYDAIBX-UHFFFAOYSA-N
Compound name
2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.12732 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 153.5
[M+Na]+ 247.11654 158.6
[M-H]- 223.12004 154.3
[M+NH4]+ 242.16114 162.2
[M+K]+ 263.09048 158.0
[M+H-H2O]+ 207.12458 140.2
[M+HCOO]- 269.12552 171.9
[M+CH3COO]- 283.14117 190.8
[M+Na-2H]- 245.10199 158.5
[M]+ 224.12677 157.4
[M]- 224.12787 157.4
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

No patent data available for this compound.