CID 80876113

4-[(3-methoxycyclohexyl)oxy]pyrimidin-2-amine

Structural Information

Molecular Formula
C11H17N3O2
SMILES
COC1CCCC(C1)OC2=NC(=NC=C2)N
InChI
InChI=1S/C11H17N3O2/c1-15-8-3-2-4-9(7-8)16-10-5-6-13-11(12)14-10/h5-6,8-9H,2-4,7H2,1H3,(H2,12,13,14)
InChIKey
UCUBNYFFAAJULV-UHFFFAOYSA-N
Compound name
4-(3-methoxycyclohexyl)oxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13208 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 150.4
[M+Na]+ 246.121298 156.1
[M-H]- 222.124804 153.3
[M+NH4]+ 241.165903 165.2
[M+K]+ 262.095238 153.8
[M+H-H2O]+ 206.129340 141.3
[M+HCOO]- 268.130281 169.6
[M+CH3COO]- 282.145931 190.0
[M+Na-2H]- 244.106746 155.1
[M]+ 223.13153142 147.1
[M]- 223.13262858 147.1
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.