CID 66393055

1512538-42-9

Structural Information

Molecular Formula
C10H14N4O
SMILES
C1CC2CN(CC1O2)C3=NC=C(C=N3)N
InChI
InChI=1S/C10H14N4O/c11-7-3-12-10(13-4-7)14-5-8-1-2-9(6-14)15-8/h3-4,8-9H,1-2,5-6,11H2
InChIKey
VCKCJRJBBRWSOL-UHFFFAOYSA-N
Compound name
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.11676 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.124036 144.4
[M+Na]+ 229.105978 151.6
[M-H]- 205.109484 146.3
[M+NH4]+ 224.150583 160.7
[M+K]+ 245.079918 149.3
[M+H-H2O]+ 189.114020 135.7
[M+HCOO]- 251.114961 160.5
[M+CH3COO]- 265.130611 155.7
[M+Na-2H]- 227.091426 150.3
[M]+ 206.11621142 140.7
[M]- 206.11730858 140.7
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.