CID 82469023

2137143-73-6

Structural Information

Molecular Formula
C10H15N3O
SMILES
C1CC(CCC1C2=NC=CC(=O)N2)N
InChI
InChI=1S/C10H15N3O/c11-8-3-1-7(2-4-8)10-12-6-5-9(14)13-10/h5-8H,1-4,11H2,(H,12,13,14)
InChIKey
UPBIRXLEQXSHEE-UHFFFAOYSA-N
Compound name
2-(4-aminocyclohexyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.1215 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.12878 143.1
[M+Na]+ 216.11072 149.3
[M-H]- 192.11422 144.9
[M+NH4]+ 211.15532 158.4
[M+K]+ 232.08466 145.1
[M+H-H2O]+ 176.11876 134.9
[M+HCOO]- 238.11970 161.2
[M+CH3COO]- 252.13535 181.7
[M+Na-2H]- 214.09617 147.8
[M]+ 193.12095 135.5
[M]- 193.12205 135.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.