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]+ 224.13936 150.4
[M+Na]+ 246.12130 156.1
[M-H]- 222.12480 153.3
[M+NH4]+ 241.16590 165.2
[M+K]+ 262.09524 153.8
[M+H-H2O]+ 206.12934 141.3
[M+HCOO]- 268.13028 169.6
[M+CH3COO]- 282.14593 190.0
[M+Na-2H]- 244.10675 155.1
[M]+ 223.13153 147.1
[M]- 223.13263 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.