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]+ 194.128776 143.1
[M+Na]+ 216.110718 149.3
[M-H]- 192.114224 144.9
[M+NH4]+ 211.155323 158.4
[M+K]+ 232.084658 145.1
[M+H-H2O]+ 176.118760 134.9
[M+HCOO]- 238.119701 161.2
[M+CH3COO]- 252.135351 181.7
[M+Na-2H]- 214.096166 147.8
[M]+ 193.12095142 135.5
[M]- 193.12204858 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.