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]+ 207.12404 144.4
[M+Na]+ 229.10598 151.6
[M-H]- 205.10948 146.3
[M+NH4]+ 224.15058 160.7
[M+K]+ 245.07992 149.3
[M+H-H2O]+ 189.11402 135.7
[M+HCOO]- 251.11496 160.5
[M+CH3COO]- 265.13061 155.7
[M+Na-2H]- 227.09143 150.3
[M]+ 206.11621 140.7
[M]- 206.11731 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.